SCHEMBL3929157

SCHEMBL3929157

NC(=O)c1cc(C2CC2)[nH]n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.71
CCNA2 P20248 7/20 0.52
CDK2 P24941 7/20 0.52
CCNA1 P78396 7/20 0.52
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
KDM5A P29375 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL3517472 0.83 HCAR2 (1.00) HCAR2CCNA2CDK2CCNA1MAPT
SCHEMBL25139438 0.81 HCAR2 (0.71) HCAR2CCNA2CDK2CCNA1MAPT
SCHEMBL23950164 0.81 HCAR2 (0.65) HCAR2CCNA2CDK2CCNA1MAPT
SCHEMBL18711801 0.77 HCAR2 (0.65) HCAR2CCNA2CDK2CCNA1MAPT
SCHEMBL29276120 0.77 HCAR2 (0.65) HCAR2CCNA2CDK2CCNA1MAPT
SCHEMBL25139439 0.77 HCAR2 (0.65) HCAR2CCNA2CDK2CCNA1MAPT
SCHEMBL6367000 0.76 HCAR2 (0.93) HCAR2CCNA2CDK2CCNA1KDM5A
SCHEMBL6761699 0.76 HCAR2 (1.00) HCAR2CCNA2CDK2CCNA1KDM5A
SCHEMBL30587464 0.76 HCAR2 (0.42) HCAR2CCNA2CDK2CCNA1MAPT
SCHEMBL29663489 0.76 HCAR2 (0.58) HCAR2MAPTKDM5AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO 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 (2 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 HCAR2 153/4885CCNA2 3123/4885CDK2 2217/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 HCAR2 128/4885CCNA2 2715/4885CDK2 1857/4885

“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.