SCHEMBL3594070

SCHEMBL3594070

Cc1c(Cc2ccc(C(C)C)cc2)c2c(c(C)c1NC(=O)CC(C)(C)C)C(=O)C(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
KCNQ2 O43526 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NLRP3 Q96P20 1/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3606275 0.82 KCNQ2 (0.34) MAOBKCNQ2L3MBTL1NLRP3HPGD
SCHEMBL3606164 0.81 KCNQ2 (0.35) MAOBKCNQ2L3MBTL1NLRP3HPGD
SCHEMBL3603154 0.80 KCNQ2 (0.33) MAOBKCNQ2L3MBTL1NLRP3HPGD
SCHEMBL3605031 0.79 KCNQ2 (0.34) MAOBKCNQ2L3MBTL1TP53
SCHEMBL3600954 0.79 KCNQ2 (0.32) MAOBKCNQ2L3MBTL1
SCHEMBL3605405 0.78 KCNQ2 (0.33) MAOBKCNQ2L3MBTL1TP53
SCHEMBL3595540 0.78 KCNQ2 (0.40) MAOBKCNQ2L3MBTL1HPGDRAB9A
SCHEMBL3601545 0.77 NFE2L2 (0.31)
SCHEMBL3599627 0.77 KCNQ2 (0.35) MAOBKCNQ2L3MBTL1NLRP3HPGD
SCHEMBL3594121 0.76 PNP (0.32)

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 MAOB 610/4885KCNQ2 630/4885L3MBTL1 3559/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOB 610/4885KCNQ2 630/4885L3MBTL1 3559/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOB 610/4885KCNQ2 630/4885L3MBTL1 3559/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAOB 610/4885KCNQ2 630/4885L3MBTL1 3559/4885

“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.