SCHEMBL3597589

SCHEMBL3597589

Cc1c(Br)c2c(c(C)c1NC(=O)O)CCO2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4082475 0.73 EZH2 (0.37) MEN1KMT2A
SCHEMBL4088010 0.73 PARP1 (0.35) HPGD
SCHEMBL3601100 0.69 RAB9A (0.35) MEN1HPGDKMT2ANPSR1
SCHEMBL20558627 0.66 SMN1; SMN2 (0.41) MEN1HPGDKMT2ANPSR1
SCHEMBL3607869 0.65 PTPN1 (0.38) HPGD
SCHEMBL16787476 0.65 NPSR1 (0.36) MEN1HPGDKMT2ANPSR1
SCHEMBL30218035 0.64 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL3604729 0.64
SCHEMBL22821772 0.63 ALDH1A1 (0.39) MEN1HPGDKMT2ANPSR1
SCHEMBL4082490 0.63

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.