SCHEMBL3592086

SCHEMBL3592086

COc1ccc(CCC(=O)Nc2c(C)c(C)c3c(c2C)C(c2ccc(C)cc2)C(C)(C)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 4/20 0.40
UTS2R Q9UKP6 1/20 0.39
POLB P06746 1/20 0.39
ALPL P05186 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
F2RL1 P55085 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3597742 1.00 KMT2A (0.44) KMT2ATSHRPKMALDH1A1UTS2R
SCHEMBL3599858 0.95 ALDH1A1 (0.44) KMT2AALDH1A1POLBMAPTHPGD
SCHEMBL2911192 0.91 ALDH1A1 (0.41) KMT2ATSHRPKMALDH1A1UTS2R
SCHEMBL3612286 0.91 SMN1; SMN2 (0.46) KMT2AALDH1A1UTS2RPOLBMAPT
SCHEMBL3594809 0.91 SMN1; SMN2 (0.46) KMT2AALDH1A1UTS2RPOLBMAPT
SCHEMBL3606411 0.85 ALDH1A1 (0.46) KMT2ATSHRALDH1A1UTS2RPOLB
SCHEMBL2913757 0.84 RAB9A (0.47) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL3605928 0.83 ADORA3 (0.36) KMT2ATSHRPKMALDH1A1POLB
SCHEMBL3590239 0.83 KCNQ2 (0.35) KMT2AALDH1A1MEN1GAAHPGD
SCHEMBL2913076 0.82 CACNA1H (0.43) KMT2AALDH1A1MAPTMEN1HPGD

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 KMT2A 1061/4885TSHR 511/4885PKM 3605/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885TSHR 511/4885PKM 3605/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885TSHR 511/4885PKM 3605/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KMT2A 1061/4885TSHR 511/4885PKM 3605/4885

“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.