SCHEMBL3611032

SCHEMBL3611032

Cc1ccc([C@@H]2c3c(C)c(NC(=O)Cc4ccc(C(F)(F)F)cc4)c(C)c(C)c3OC2(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.39
UTS2R Q9UKP6 1/20 0.39
P2RY14 Q15391 1/20 0.37
KCNH2 Q12809 2/20 0.37
MAPK8 P45983 2/20 0.36
MAPK10 P53779 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
RORC P51449 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAPDH P04406 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3594809 0.86 SMN1; SMN2 (0.46) NLRP3UTS2RMAPK10SMN1; SMN2RAB9A
SCHEMBL3612286 0.86 SMN1; SMN2 (0.46) NLRP3UTS2RMAPK10SMN1; SMN2RAB9A
SCHEMBL3605928 0.80 ADORA3 (0.36) SMN1; SMN2RAB9AGAACYP2C19NPC1
SCHEMBL4088002 0.79 CYP2C19 (0.36) CYP3A4CYP2C9CYP2C19
SCHEMBL3606148 0.78 HPGD (0.38) SMN1; SMN2RAB9AGAAHDAC1HDAC8
SCHEMBL3609448 0.77 GAA (0.37) SMN1; SMN2RAB9AGAAHDAC1HDAC8
SCHEMBL2913076 0.77 CACNA1H (0.43) NLRP3SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL3597742 0.77 KMT2A (0.44) UTS2RGAAMEN1LMNAMAPT
SCHEMBL3604067 0.75 HPGD (0.38) SMN1; SMN2RAB9AGAAMEN1MAPT
SCHEMBL3599858 0.75 ALDH1A1 (0.44) SMN1; SMN2RAB9ACYP3A4CYP2D6CYP2C9

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 2968/4885UTS2R 542/4885P2RY14 277/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NLRP3 2968/4885UTS2R 542/4885P2RY14 277/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NLRP3 2968/4885UTS2R 542/4885P2RY14 277/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NLRP3 2968/4885UTS2R 542/4885P2RY14 277/4885

“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.