SCHEMBL144863

SCHEMBL144863

[CH2]Cc1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TAAR1 Q96RJ0 3/20 0.39
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
RIPK1 Q13546 1/20 0.38
AKR1B1 P15121 1/20 0.37
MPO P05164 1/20 0.35
CYP2A13 Q16696 1/20 0.34
CXCR2 P25025 3/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAOB P27338 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL5584389 0.81 TAAR1 (0.41) IDO1TAAR1CES2BCHECES1
SCHEMBL5609990 0.80 TAAR1 (0.39) IDO1TAAR1CES2BCHECES1
SCHEMBL95233 0.79
SCHEMBL3300692 0.79 MPO (0.47) IDO1TAAR1CES2BCHECES1
SCHEMBL7052559 0.79 TAAR1 (0.48) IDO1TAAR1CES2BCHECES1
SCHEMBL7500694 0.78 TAAR1 (0.39) IDO1TAAR1CES2BCHECES1
SCHEMBL283845 0.77 TAAR1 (0.41) IDO1TAAR1CES2BCHECES1
SCHEMBL146632 0.77 RIPK1 (0.36) IDO1CES2CES1RIPK1GPR84
SCHEMBL17552658 0.77 TAAR1 (0.41) IDO1TAAR1CES2BCHECES1
SCHEMBL214409 0.77 TAAR1 (0.52) IDO1TAAR1CES2BCHECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-11-02 US claimed
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-06-08 US claimed
CN-115867534-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-28 CN claimed
EP-4146623-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
EP-4146624-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
CN-115803025-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2023-03-14 CN claimed
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2022-07-07 US claimed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 CN claimed
WO-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
WO-2021224865-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 US claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
EP-1981877-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-10-22 EP claimed
US-7411073-B2 Selective non-steroidal glucocorticoid receptor modulators MERCK & CO., INC. (US) 2008-08-12 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
WO-2007091703-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-08-16 WO claimed
US-20060074120-A1 cyclopent[f]pyrazole derivatives; antiinflammatory agent; autoimmune diseases; side effect reduction, advantages over steroidal glucocorticoid ligands with respect to undesireable side-effects, efficacy, toxicity or metabolism MERCK SHARP & DOHME CORP. 2006-04-06 US claimed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed

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

For each of this compound's patents that has machine-readable text (8 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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 IDO1 2064/4885TAAR1 3104/4885CES2 1256/4885
US-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA IDO1 2392/4885TAAR1 4166/4885CES2 234/4885
US-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 IDO1 2892/4885TAAR1 3142/4885CES2 1496/4885
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA IDO1 2392/4885TAAR1 4166/4885CES2 234/4885
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA IDO1 2392/4885TAAR1 4166/4885CES2 234/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 IDO1 2892/4885TAAR1 3142/4885CES2 1496/4885
US-20060074120-A1 cyclopent[f]pyrazole derivatives; antiinflammatory agent; autoimmune diseases; side effect reduction, advantages over steroidal glucocorticoid ligands with respect to undesireable side-effects, efficacy, toxicity or metabolism NR3C1, NR3C2, NR5A1 IDO1 1481/4885TAAR1 908/4885CES2 4212/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 IDO1 2892/4885TAAR1 3142/4885CES2 1496/4885

“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.