SCHEMBL3605333

SCHEMBL3605333

CC(=CC(=O)O)c1ccc(C2COc3c(C)c(C)c(NC(=O)CC(C)(C)C)c(C)c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
KCNQ2 O43526 3/20 0.33
KCNQ3 O43525 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAOB P27338 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
SCHEMBL3605326 1.00 NR4A1 (0.33) NR4A1NR4A2NR4A3KCNQ2KCNQ3
SCHEMBL3605330 1.00 NR4A1 (0.33) NR4A1NR4A2NR4A3KCNQ2KCNQ3
SCHEMBL4817098 0.89 KDM4E (0.33) KCNQ2KCNQ3
SCHEMBL3598326 0.88 KCNQ2 (0.34) KCNQ2KCNQ3L3MBTL1HTTSMN1; SMN2
SCHEMBL4817101 0.88 RAB9A (0.31) KCNQ2KCNQ3MAOB
SCHEMBL3598586 0.85 L3MBTL1 (0.38) KCNQ2KCNQ3L3MBTL1HTTSMN1; SMN2
SCHEMBL3600195 0.85 HPGD (0.40) KCNQ2KCNQ3L3MBTL1HTTSMN1; SMN2
SCHEMBL3612161 0.85 GPER1 (0.33) KCNQ2KCNQ3L3MBTL1MAOB
SCHEMBL3612158 0.85 GPER1 (0.33) KCNQ2KCNQ3L3MBTL1MAOB
SCHEMBL4817103 0.84 KCNQ2 (0.30) KCNQ2KCNQ3

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 NR4A1 144/4885NR4A2 384/4885NR4A3 436/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NR4A1 144/4885NR4A2 384/4885NR4A3 436/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NR4A1 144/4885NR4A2 384/4885NR4A3 436/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NR4A1 144/4885NR4A2 384/4885NR4A3 436/4885

“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.