SCHEMBL3600451

SCHEMBL3600451

Cc1cc2c(c(C)c1Br)CCO2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
PTGS2 P35354 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL9798971 0.82 MAOA (0.33) MAOAMAOBALDH1A1CYP1A2NLRP3
SCHEMBL31359566 0.81 NLRP3 (0.38) MAOAMAOBNLRP3
SCHEMBL23013231 0.81 HTR2A (0.31)
SCHEMBL23648339 0.79 GRIA2 (0.33) MAOAMAOBALDH1A1
SCHEMBL3604621 0.77 ALDH1A1 (0.33) MAOAMAOBALDH1A1CYP1A2NLRP3
SCHEMBL24778598 0.74 HPGD (0.40) ALDH1A1PTGS2
SCHEMBL28121913 0.74 HPGD (0.39) MAOB
SCHEMBL23729554 0.73 MAOA (0.31) MAOAMAOBALDH1A1CYP1A2NLRP3
SCHEMBL23012548 0.73 NPSR1 (0.40) ALDH1A1CYP1A2
SCHEMBL29574086 0.73 NPSR1 (0.40) ALDH1A1CYP1A2

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
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 MAOA 1094/4885MAOB 610/4885ALDH1A1 1463/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOA 1094/4885MAOB 610/4885ALDH1A1 1463/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOA 1094/4885MAOB 610/4885ALDH1A1 1463/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOA 1094/4885MAOB 610/4885ALDH1A1 1463/4885

“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.