SCHEMBL3600396

SCHEMBL3600396

C=CCOc1c(Br)c(C)c(NC(=O)CC(C)(C)C)c(C)c1Cc1ccc(C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BMP1 P13497 1/20 0.30
NLRP3 Q96P20 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 0.81 L3MBTL1 (0.37) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL3600613 0.73 NLRP3 (0.37) MAPTALDH1A1KMT2AHTTL3MBTL1
SCHEMBL3594323 0.72 L3MBTL1 (0.45) KMT2AL3MBTL1MEN1BCHEACHE
SCHEMBL3599802 0.72 KCNQ2 (0.33) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL3598345 0.72 L3MBTL1 (0.43) ALDH1A1KMT2AL3MBTL1MEN1BCHE
SCHEMBL3604274 0.72 BCHE (0.42) ALDH1A1HTTL3MBTL1BCHEACHE
SCHEMBL3600065 0.71 MAOB (0.38) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL3606164 0.70 KCNQ2 (0.35) ALDH1A1KMT2AL3MBTL1MEN1NPC1
SCHEMBL3599627 0.70 KCNQ2 (0.35) L3MBTL1NPC1RAB9ANLRP3
SCHEMBL3601513 0.70 KCNQ2 (0.35) L3MBTL1

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 MAPT 4392/4885ALDH1A1 1463/4885KMT2A 1061/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885ALDH1A1 1463/4885KMT2A 1061/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885ALDH1A1 1463/4885KMT2A 1061/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885ALDH1A1 1463/4885KMT2A 1061/4885

“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.