SCHEMBL3606374

SCHEMBL3606374

Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1-c1cccs1)OCC2c1ccc(C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAPT P10636 5/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 3/20 0.31
TP53 P04637 2/20 0.31
KCNQ2 O43526 3/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL3587470 0.86 SMN1; SMN2 (0.34) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3605799 0.86 L3MBTL1 (0.30)
SCHEMBL3607754 0.85
SCHEMBL3600290 0.85 ADORA2A (0.36) RAB9AKDM4EKCNQ2MEN1KMT2A
SCHEMBL3598141 0.85 L3MBTL1 (0.35) ALDH1A1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL3595273 0.85 L3MBTL1 (0.35) ALDH1A1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL3590832 0.85 L3MBTL1 (0.35) ALDH1A1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL3609831 0.85 AAK1 (0.33) ALDH1A1SMN1; SMN2KCNQ2
SCHEMBL3603081 0.85 KCNQ3 (0.31) ALDH1A1SMN1; SMN2KCNQ2
SCHEMBL3607378 0.84 L3MBTL1 (0.33) NPC1RAB9ASMN1; SMN2HPGDMAPT

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 NPC1 1481/4885ALDH1A1 1463/4885RAB9A 631/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NPC1 1481/4885ALDH1A1 1463/4885RAB9A 631/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NPC1 1481/4885ALDH1A1 1463/4885RAB9A 631/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 NPC1 1481/4885ALDH1A1 1463/4885RAB9A 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.