SCHEMBL3600613

SCHEMBL3600613

C=C(C)Cc1c(C)c(NC(=O)CC(C)(C)C)c(C)c(Cc2ccc(C(C)C)cc2)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.37
HPGD P15428 6/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KCNQ2 O43526 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR2 P34972 1/20 0.31
CACNA1H O95180 1/20 0.31
GHSR Q92847 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL3596672 0.84 L3MBTL1 (0.37) NLRP3HPGDRAB9AL3MBTL1NPC1
SCHEMBL3594323 0.79 L3MBTL1 (0.45) NLRP3HPGDL3MBTL1MAOBKCNQ2
SCHEMBL3604274 0.78 BCHE (0.42) L3MBTL1MAOBHTTKCNQ2ALDH1A1
SCHEMBL3600065 0.75 MAOB (0.38) NLRP3HPGDRAB9AL3MBTL1NPC1
SCHEMBL3598345 0.74 L3MBTL1 (0.43) NLRP3L3MBTL1MAOBKCNQ2MEN1
SCHEMBL3599627 0.74 KCNQ2 (0.35) NLRP3HPGDRAB9AL3MBTL1NPC1
SCHEMBL3606275 0.73 KCNQ2 (0.34) NLRP3HPGDRAB9AL3MBTL1NPC1
SCHEMBL3600396 0.73 MAPT (0.34) NLRP3RAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL3594070 0.73 MAOB (0.34) NLRP3HPGDRAB9AL3MBTL1NPC1
SCHEMBL3599802 0.73 KCNQ2 (0.33) NLRP3HPGDRAB9AL3MBTL1NPC1

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 NLRP3 2968/4885HPGD 1416/4885RAB9A 631/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NLRP3 2968/4885HPGD 1416/4885RAB9A 631/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NLRP3 2968/4885HPGD 1416/4885RAB9A 631/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NLRP3 2968/4885HPGD 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.