SCHEMBL3603636

SCHEMBL3603636

Cc1c(C)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(CC(C)C)cc1)CO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 8/20 0.32
KCNQ3 O43525 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM1 P11229 1/20 0.32
PDE4A P27815 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MAOB P27338 1/20 0.31
ALOX5 P09917 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL3600816 0.89 HPGD (0.36) KCNQ2KCNQ3NPC1RAB9AHPGD
SCHEMBL3598141 0.88 L3MBTL1 (0.35) KCNQ2KCNQ3RAB9ASMN1; SMN2HPGD
SCHEMBL3595273 0.88 L3MBTL1 (0.35) KCNQ2KCNQ3RAB9ASMN1; SMN2HPGD
SCHEMBL3590832 0.88 L3MBTL1 (0.35) KCNQ2KCNQ3RAB9ASMN1; SMN2HPGD
SCHEMBL3598586 0.88 L3MBTL1 (0.38) KCNQ2KCNQ3RAB9ASMN1; SMN2HPGD
SCHEMBL3593910 0.87 KCNQ2 (0.33) KCNQ2KCNQ3SMN1; SMN2HPGDL3MBTL1
SCHEMBL3600195 0.86 HPGD (0.40) KCNQ2KCNQ3NPC1RAB9ASMN1; SMN2
SCHEMBL3604268 0.85 HPGD (0.40) KCNQ2KCNQ3NPC1RAB9AHPGD
SCHEMBL3598326 0.85 KCNQ2 (0.34) KCNQ2KCNQ3RAB9ASMN1; SMN2HPGD
SCHEMBL3609482 0.85 KCNQ2 (0.34) KCNQ2KCNQ3RAB9ASMN1; SMN2HPGD

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 KCNQ2 630/4885KCNQ3 1050/4885NPC1 1481/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885KCNQ3 1050/4885NPC1 1481/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885KCNQ3 1050/4885NPC1 1481/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885KCNQ3 1050/4885NPC1 1481/4885

“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.