SCHEMBL3603984

SCHEMBL3603984

COc1cc(C2COc3c(C)c(C)c(NC(=O)CC(C)(C)C)c(C)c32)ccc1C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 8/20 0.35
KCNQ3 O43525 5/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAOB P27338 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
HPGD P15428 1/20 0.30
ATM Q13315 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
SCHEMBL3586927 0.93 KCNQ2 (0.34) KCNQ2KCNQ3ADORA2AADORA1ALDH1A1
SCHEMBL3605084 0.87 KCNQ2 (0.35) KCNQ2KCNQ3ADORA2AADORA1ALDH1A1
SCHEMBL3598326 0.83 KCNQ2 (0.34) KCNQ2KCNQ3ALDH1A1MEN1KMT2A
SCHEMBL3596158 0.83 BRD4 (0.41) KCNQ2KCNQ3ALDH1A1MEN1KMT2A
SCHEMBL3598586 0.82 L3MBTL1 (0.38) KCNQ2KCNQ3ALDH1A1MEN1KMT2A
SCHEMBL3606401 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL14856353 0.80 NPC1 (0.32) KCNQ2KCNQ3ALDH1A1MEN1KMT2A
SCHEMBL3600195 0.80 HPGD (0.40) KCNQ2KCNQ3ADORA1ALDH1A1MEN1
SCHEMBL3593910 0.79 KCNQ2 (0.33) KCNQ2KCNQ3MEN1KMT2AL3MBTL1
SCHEMBL3609482 0.79 KCNQ2 (0.34) KCNQ2KCNQ3ALDH1A1MEN1KMT2A

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 KCNQ2 630/4885KCNQ3 1050/4885ADORA2A 65/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885KCNQ3 1050/4885ADORA2A 65/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885KCNQ3 1050/4885ADORA2A 65/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 KCNQ2 630/4885KCNQ3 1050/4885ADORA2A 65/4885

“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.