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SCHEMBL2070692

SCHEMBL2070692

CC(C)(C)OC(=O)N1CCCC(C(=O)OCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ GABRA1 P14867 1/20 0.55
▸ GABRG2 P18507 1/20 0.55
▸ GABRB3 P28472 1/20 0.55
▸ GABRA3 P34903 1/20 0.55
▸ GABRA2 P47869 1/20 0.55
▸ GABRB2 P47870 1/20 0.55
▸ NPC1 O15118 3/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ USP30 Q70CQ3 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ RAB9A P51151 2/20 0.49

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
SCHEMBL14348055 1.00 ALDH1A1 (0.55) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL14348059 0.96 ALDH1A1 (0.52) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL15626861 0.93 STS (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9038044 0.93 STS (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL951309 0.93 STS (0.56) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14528730 0.89 ALDH1A1 (0.50) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL14348074 0.89 STS (0.53) NPC1CYP2C19HTTUSP30SMN1; SMN2
SCHEMBL17874004 0.88 HPGD (0.54) NPC1CYP2C19MEN1KMT2AHTT
SCHEMBL20811255 0.88 FKBP1A (0.53) ALDH1A1CYP3A4TSHR
SCHEMBL28445313 0.88 FKBP1A (0.53) ALDH1A1CYP3A4TSHR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 — — US disclosed
US-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 — — US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 — — US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 — — US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 — — US disclosed
EP-1758882-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-23 — — EP disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 — — US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 — — US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 — — US disclosed
CN-101001850-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-07-18 — — CN disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 — — EP disclosed
EP-1758882-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 — — EP disclosed
WO-2006012173-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 — — WO disclosed
US-6979741-B2 Acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2005-12-27 — — US disclosed
EP-1478437-B1 ACC INHIBITORS PFIZER PROD INC (US) 2005-08-31 — — EP disclosed
EP-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 — — EP disclosed
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors PFIZER INC. 2003-10-02 — — US disclosed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 — — WO disclosed
WO-1996032943-A1 3-SUBSTITUTED PIPERIDINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1996-10-24 — — WO disclosed
US-5559128-A FOOD ANIMALS; MEDICAL DIAGNOSIS MERCK & CO., INC. (US) 1996-09-24 — — 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 (4 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-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES EEF2K, VPS26B, VPS28 ALDH1A1 4293/4885GABRA1 3372/4885GABRG2 3206/4885
US-20030187254-A1 Acetyl-CoA carboxylase inhibitors ACACA, ACACB, ACAT1 ALDH1A1 654/4885GABRA1 3248/4885GABRG2 3557/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 ALDH1A1 4293/4885GABRA1 3372/4885GABRG2 3206/4885
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD ALDH1A1 616/4885GABRA1 38/4885GABRG2 146/4885

“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.