SCHEMBL3603111

SCHEMBL3603111

CCCCc1c(C)c(NC(=O)CC(C)(C)C)c(C)c2c1OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNQ2 O43526 3/20 0.31
EPHX1 P07099 1/20 0.30
KCNQ3 O43525 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
SCHEMBL3605233 0.95 L3MBTL1 (0.32) NPC1HPGDRAB9AL3MBTL1KCNQ2
SCHEMBL3595455 0.95 L3MBTL1 (0.32) NPC1HPGDRAB9AL3MBTL1KCNQ2
SCHEMBL3604975 0.93 L3MBTL1 (0.31) L3MBTL1KCNQ2KCNQ3
SCHEMBL3602799 0.92 L3MBTL1 (0.32) L3MBTL1KCNQ2KCNQ3
SCHEMBL3597352 0.92 L3MBTL1 (0.33) HPGDL3MBTL1SMN1; SMN2KCNQ2KCNQ3
SCHEMBL3603003 0.92 L3MBTL1 (0.33) HPGDL3MBTL1SMN1; SMN2KCNQ2KCNQ3
SCHEMBL3609226 0.90 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2KCNQ2KCNQ3
SCHEMBL3598816 0.89 KDM4E (0.33) HPGDRAB9ASMN1; SMN2
SCHEMBL3604712 0.88 L3MBTL1 (0.32) L3MBTL1KCNQ2KCNQ3
SCHEMBL3598141 0.88 L3MBTL1 (0.35) HPGDRAB9AL3MBTL1SMN1; SMN2KCNQ2

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 NPC1 1481/4885HPGD 1416/4885RAB9A 631/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NPC1 1481/4885HPGD 1416/4885RAB9A 631/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NPC1 1481/4885HPGD 1416/4885RAB9A 631/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NPC1 1481/4885HPGD 1416/4885RAB9A 631/4885

“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.