SCHEMBL820508

SCHEMBL820508

CC(C)(C)c1ccccc1-n1ccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.70
CYP1A2 P05177 6/20 0.70
CYP2D6 P10635 6/20 0.70
CYP2C19 P33261 6/20 0.70
CYP2C9 P11712 4/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
ALDH1A1 P00352 4/20 0.70
TDP1 Q9NUW8 3/20 0.70
LMNA P02545 3/20 0.70
MAPK1 P28482 2/20 0.70
MAPT P10636 1/20 0.70
PMP22 Q01453 1/20 0.70
IDO1 P14902 3/20 0.56
GAA P10253 2/20 0.49
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 2/20 0.46
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27768062 0.86 CYP3A4 (0.66) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL18367717 0.85 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL1322071 0.82 CYP3A4 (1.00) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL29595684 0.82 CYP3A4 (1.00) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL31408101 0.80 IDO1 (0.73) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL16382293 0.80 IDO1 (0.73) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL15496653 0.78 LMNA (0.44) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL16559778 0.78 CYP2D6 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL28484926 0.77 IDO1 (0.63) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL21849234 0.77 ALDH1A1 (0.41) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-12-18 US disclosed
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-12-18 US disclosed
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-03-27 US disclosed
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-03-27 US disclosed
US-8541618-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-09-24 US disclosed
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. 2012-06-07 US disclosed
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. 2012-06-07 US disclosed
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-03-17 US disclosed
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation LOWE DEREK B 2009-02-19 US disclosed
US-7358386-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-15 US disclosed
US-7358386-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP CYP3A4 436/4885CYP1A2 113/4885CYP2D6 958/4885
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES ACHE, CHAT, APP CYP3A4 3041/4885CYP1A2 870/4885CYP2D6 3720/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP3A4 1831/4885CYP1A2 767/4885CYP2D6 625/4885
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP CYP3A4 436/4885CYP1A2 113/4885CYP2D6 958/4885
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES CHAT, ACHE, AANAT CYP3A4 2513/4885CYP1A2 646/4885CYP2D6 3429/4885
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE CHRNA2, ACACA, CHAT CYP3A4 1302/4885CYP1A2 234/4885CYP2D6 1770/4885
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES CHAT, ACHE, CHRNA2 CYP3A4 1810/4885CYP1A2 345/4885CYP2D6 2374/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP3A4 1831/4885CYP1A2 767/4885CYP2D6 625/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP CYP3A4 436/4885CYP1A2 113/4885CYP2D6 958/4885
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation INSR, ACACA, IAPP CYP3A4 436/4885CYP1A2 113/4885CYP2D6 958/4885
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES APP, MAPT, TNF CYP3A4 3242/4885CYP1A2 591/4885CYP2D6 3422/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.