SCHEMBL3605213

SCHEMBL3605213

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 10/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
KCNQ3 O43525 4/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3603424 0.82 BRD4 (0.36) KCNQ2L3MBTL1HPGDMEN1KMT2A
SCHEMBL3599006 0.74 NPBWR1 (0.39) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3593883 0.74 KCNQ2 (0.37) KCNQ2L3MBTL1HPGDMEN1KMT2A
SCHEMBL3590832 0.73 L3MBTL1 (0.35) KCNQ2L3MBTL1HPGDMEN1KMT2A
SCHEMBL3598141 0.73 L3MBTL1 (0.35) KCNQ2L3MBTL1HPGDMEN1KMT2A
SCHEMBL3595273 0.73 L3MBTL1 (0.35) KCNQ2L3MBTL1HPGDMEN1KMT2A
SCHEMBL3599976 0.72
SCHEMBL3609776 0.72 KCNQ2 (0.35) KCNQ2L3MBTL1HPGDMEN1KMT2A
SCHEMBL3605705 0.71 L3MBTL1 (0.35) KCNQ2L3MBTL1HPGDMEN1KMT2A
SCHEMBL3601107 0.71 KCNQ2 (0.36) KCNQ2L3MBTL1HPGDMEN1KMT2A

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 630/4885L3MBTL1 3559/4885HPGD 1416/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885L3MBTL1 3559/4885HPGD 1416/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885L3MBTL1 3559/4885HPGD 1416/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885L3MBTL1 3559/4885HPGD 1416/4885

“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.