SCHEMBL3596672

SCHEMBL3596672

Cc1c(Br)c(O)c(Cc2ccc(C(C)C)cc2)c(C)c1NC(=O)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
NLRP3 Q96P20 1/20 0.37
MAOB P27338 1/20 0.36
HPGD P15428 5/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KCNQ2 O43526 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GHSR Q92847 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 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
SCHEMBL3600613 0.84 NLRP3 (0.37) L3MBTL1NLRP3MAOBHPGDRAB9A
SCHEMBL3600396 0.81 MAPT (0.34) L3MBTL1NLRP3RAB9ANPC1SMN1; SMN2
SCHEMBL3594323 0.81 L3MBTL1 (0.45) L3MBTL1NLRP3MAOBHPGDKCNQ2
SCHEMBL3600065 0.77 MAOB (0.38) L3MBTL1NLRP3MAOBHPGDRAB9A
SCHEMBL3598345 0.77 L3MBTL1 (0.43) L3MBTL1NLRP3MAOBKCNQ2MEN1
SCHEMBL3599627 0.76 KCNQ2 (0.35) L3MBTL1NLRP3MAOBHPGDRAB9A
SCHEMBL3606275 0.76 KCNQ2 (0.34) L3MBTL1NLRP3MAOBHPGDRAB9A
SCHEMBL3599802 0.75 KCNQ2 (0.33) L3MBTL1NLRP3MAOBHPGDRAB9A
SCHEMBL3594070 0.75 MAOB (0.34) L3MBTL1NLRP3MAOBHPGDRAB9A
SCHEMBL3602327 0.75 SLC5A2 (0.37) L3MBTL1NLRP3MAOBHPGDRAB9A

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 L3MBTL1 3559/4885NLRP3 2968/4885MAOB 610/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885NLRP3 2968/4885MAOB 610/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885NLRP3 2968/4885MAOB 610/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 L3MBTL1 3559/4885NLRP3 2968/4885MAOB 610/4885

“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.