SCHEMBL3603906

SCHEMBL3603906

Cc1c(C)c2c(c(C)c1Br)C(c1ccc(-c3ccccc3)cc1)CO2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
CYP19A1 P11511 5/20 0.33
CHRM2 P08172 3/20 0.33
KDM1A O60341 3/20 0.32
MAOB P27338 1/20 0.32
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3601353 0.91 CYP19A1 (0.38) CYP19A1BRD4
SCHEMBL3603241 0.83 TAAR1 (0.41) TAAR1CYP19A1CHRM2KDM1AMAOB
SCHEMBL3642940 0.81
SCHEMBL3596091 0.81 TP53 (0.33)
SCHEMBL3594690 0.79 CHRM2 (0.36) TAAR1CYP19A1CHRM2KDM1AMAOB
SCHEMBL3592015 0.76 FFAR1 (0.35) TAAR1CHRM2KDM1AMAPK1
SCHEMBL3600939 0.75 TP53 (0.33)
SCHEMBL3604999 0.74 CYP19A1 (0.31) CYP19A1
SCHEMBL3598700 0.74 CYP19A1 (0.38) TAAR1CYP19A1BRD4
SCHEMBL3600827 0.71 HPGD (0.37) MAOBBRD4ALDH1A1

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 TAAR1 218/4885CYP19A1 243/4885CHRM2 373/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TAAR1 218/4885CYP19A1 243/4885CHRM2 373/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TAAR1 218/4885CYP19A1 243/4885CHRM2 373/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TAAR1 218/4885CYP19A1 243/4885CHRM2 373/4885

“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.