SCHEMBL3601737

SCHEMBL3601737

Cc1c(Cc2ccccc2)c2c(c(C)c1NC(=O)CC(C)(C)C)CC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.38
RAB9A P51151 3/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
MAOB P27338 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ADORA1 P30542 1/20 0.32

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
SCHEMBL3606164 0.88 KCNQ2 (0.35) KCNQ2RAB9AHPGDALDH1A1KDM4E
SCHEMBL3589337 0.88 KCNQ2 (0.39) KCNQ2RAB9AHPGDMAPTGAA
SCHEMBL3597526 0.80 KCNQ2 (0.36) KCNQ2RAB9AHPGDMAPTGAA
SCHEMBL3597158 0.78 KCNQ2 (0.39) KCNQ2HPGDALDH1A1KDM4EMEN1
SCHEMBL3605031 0.78 KCNQ2 (0.34) KCNQ2MAOBL3MBTL1
SCHEMBL3604154 0.78 KCNQ2 (0.40) KCNQ2HPGDALDH1A1KDM4EMEN1
SCHEMBL3605405 0.78 KCNQ2 (0.33) KCNQ2MAOBL3MBTL1
SCHEMBL3599090 0.77 KCNQ2 (0.37) KCNQ2RAB9AHPGDMAPTGAA
SCHEMBL3599822 0.75 KCNQ2 (0.37) KCNQ2HPGDALDH1A1KDM4EMEN1
SCHEMBL3600223 0.74 KCNQ2 (0.34) KCNQ2RAB9AHPGDMAPTGAA

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 630/4885RAB9A 631/4885HPGD 1416/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885RAB9A 631/4885HPGD 1416/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885RAB9A 631/4885HPGD 1416/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885RAB9A 631/4885HPGD 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.