SCHEMBL3604918

SCHEMBL3604918

Cc1cc(C)c2c(c1C)OCC2c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
KDM1A O60341 3/20 0.36
CYP19A1 P11511 3/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL3601448 0.84 CYP19A1 (0.34) HTR2AHTR2CHTR2BHRH3SIRT2
SCHEMBL3604809 0.84 CYP19A1 (0.42) CYP19A1ALDH1A1
SCHEMBL3646126 0.81 CYP19A1 (0.33) CYP19A1ALOX15ALOX12
SCHEMBL3601050 0.81 CYP19A1 (0.49) HTR2AHTR2CHTR2BCYP19A1MAPT
SCHEMBL3596213 0.78 CYP19A1 (0.40) SIRT2CYP19A1MAPTMEN1KMT2A
SCHEMBL3594690 0.76 CHRM2 (0.36) KDM1ACYP19A1MAPT
SCHEMBL3600236 0.73 MAPT (0.38) MAPTALDH1A1LMNAHPGD
SCHEMBL3594174 0.73 RAB9A (0.31) RAB9A
SCHEMBL3599168 0.72 CYP2A6 (0.33) CYP19A1ALDH1A1
SCHEMBL3598746 0.69 CYP19A1 (0.32) CYP19A1ALOX15ALOX12

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 HTR2A 360/4885HTR2C 301/4885HTR2B 129/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR2A 360/4885HTR2C 301/4885HTR2B 129/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR2A 360/4885HTR2C 301/4885HTR2B 129/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR2A 360/4885HTR2C 301/4885HTR2B 129/4885

“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.