SCHEMBL3603241

SCHEMBL3603241

Cc1c(C)c2c(c(C)c1N)C(c1ccc(-c3ccccc3)cc1)CO2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
KDM1A O60341 3/20 0.35
MAOB P27338 1/20 0.35
CYP19A1 P11511 4/20 0.33
CHRM2 P08172 3/20 0.33
BRD4 O60885 2/20 0.32
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3598700 0.91 CYP19A1 (0.38) TAAR1CYP19A1BRD4
SCHEMBL3598591 0.85 CYP19A1 (0.39) CYP19A1
SCHEMBL3603906 0.83 TAAR1 (0.35) TAAR1KDM1AMAOBCYP19A1CHRM2
SCHEMBL3598864 0.81 TP53 (0.33)
SCHEMBL3602781 0.81 ALDH1A1 (0.32) HSD17B10
SCHEMBL3601683 0.81
SCHEMBL3594690 0.79 CHRM2 (0.36) TAAR1KDM1AMAOBCYP19A1CHRM2
SCHEMBL3601467 0.74 CYP19A1 (0.32) CYP19A1
SCHEMBL3605267 0.74 CYP19A1 (0.47) KDM1ACYP19A1BRD4CYP3A4
SCHEMBL3595244 0.74 MAPT (0.32) TAAR1CYP19A1

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 218/4885KDM1A 449/4885MAOB 610/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TAAR1 218/4885KDM1A 449/4885MAOB 610/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TAAR1 218/4885KDM1A 449/4885MAOB 610/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TAAR1 218/4885KDM1A 449/4885MAOB 610/4885

“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.