SCHEMBL3604268

SCHEMBL3604268

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KCNQ2 O43526 7/20 0.32
PPARA Q07869 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KCNQ3 O43525 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 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
SCHEMBL3607772 0.89 KCNQ2 (0.36) HPGDNPC1RAB9AKCNQ2CYP4A11
SCHEMBL3600816 0.88 HPGD (0.36) HPGDNPC1RAB9AKCNQ2KCNQ3
SCHEMBL3598586 0.87 L3MBTL1 (0.38) HPGDRAB9AKCNQ2KCNQ3L3MBTL1
SCHEMBL3603636 0.85 KCNQ2 (0.32) HPGDNPC1RAB9AKCNQ2KCNQ3
SCHEMBL3600195 0.85 HPGD (0.40) HPGDNPC1RAB9AKCNQ2KCNQ3
SCHEMBL3609482 0.84 KCNQ2 (0.34) HPGDRAB9AKCNQ2KCNQ3L3MBTL1
SCHEMBL3598326 0.84 KCNQ2 (0.34) HPGDRAB9AKCNQ2KCNQ3L3MBTL1
SCHEMBL3604975 0.83 L3MBTL1 (0.31) KCNQ2KCNQ3L3MBTL1
SCHEMBL3604627 0.83 MAOB (0.34) HPGDRAB9AKCNQ2KCNQ3L3MBTL1
SCHEMBL3595273 0.83 L3MBTL1 (0.35) HPGDRAB9AKCNQ2KCNQ3L3MBTL1

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