SCHEMBL3600592

SCHEMBL3600592

CC(=Cc1ccc(Br)cc1)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
AKR1C3 P42330 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP2A6 P11509 1/20 0.35
NOS1 P29475 2/20 0.34

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
SCHEMBL3600589 1.00 KMT2A (0.44) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL6770445 0.83 KMT2A (0.49) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL3604983 0.83 KMT2A (0.44) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL6770448 0.83 KMT2A (0.49) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL3604985 0.83 KMT2A (0.44) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL1758165 0.80 CYP2A6 (0.41) KMT2AMAPTNPSR1CYP2C19CYP3A4
SCHEMBL1758330 0.80 CYP2A6 (0.41) KMT2AMAPTNPSR1CYP2C19CYP3A4
SCHEMBL6366611 0.78 CAPN1 (0.42) CYP2D6ALDH1A1KDM4ESMN1; SMN2USP2
SCHEMBL4631940 0.78 APP (0.40) KMT2AMEN1MAPTCYP3A4ALDH1A1
SCHEMBL3602795 0.78 TRPA1 (0.55) KMT2AMEN1MAPTLMNANPSR1

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 11 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
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
US-4731370-A VASODILATOR, ANTICOAGULANT TOYAMA CHEMICAL CO., LTD. (JP) 1988-03-15 US disclosed
US-4713387-A Vasodilating and platelet aggregation inhibiting 1,4 dihydropyridines with an imidazolyl or pyridyl containing ester TOYAMA CHEMICAL CO., LTD. (JP) 1987-12-15 US 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 (5 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 KMT2A 1061/4885MEN1 3532/4885MAPT 4392/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MEN1 3532/4885MAPT 4392/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MEN1 3532/4885MAPT 4392/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885MEN1 3532/4885MAPT 4392/4885
US-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 KMT2A 1212/4885MEN1 1498/4885MAPT 4420/4885

“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.