SCHEMBL3601276

SCHEMBL3601276

Cc1c(C)c2c(c(C)c1C(N)=O)OC(C)(C)C2(O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 6/20 0.33
LMNA P02545 3/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1004648 0.58 POLB (0.55) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL3599631 0.58 POLB (0.35) POLB
SCHEMBL18740829 0.57 GAA (0.46) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL2038304 0.57 ELANE (0.36) ALDH1A1MAPTNPSR1HSD17B10KMT2A
Hydrochloric Acid SCHEMBL29030889 0.56 POLB (0.52) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL1003996 0.56 POLB (0.52) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL16174713 0.56 ELANE (0.44) ALDH1A1KMT2AHTTGAA
SCHEMBL28357204 0.56 GAA (0.49) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL28674313 0.56 MAOA (0.50) ALDH1A1LMNASMN1; SMN2PLA2G10PLA2G2A
SCHEMBL29921879 0.56 OPRL1 (0.37) MAPTNPSR1LMNAKMT2AMEN1

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 ALDH1A1 1463/4885MAPT 4392/4885HPGD 1416/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885MAPT 4392/4885HPGD 1416/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885MAPT 4392/4885HPGD 1416/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885MAPT 4392/4885HPGD 1416/4885

“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.