SCHEMBL3602429

SCHEMBL3602429

COc1cccc(C2c3c(C)c(NC(=O)CC(C)(C)C)c(C)c(C)c3OC2(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
HPGD P15428 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KCNQ2 O43526 3/20 0.35
SLC9A1 P19634 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL3590239 0.89 KCNQ2 (0.35) HPGDMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL3605752 0.86 HPGD (0.39) HPGDMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL3601766 0.81 KCNQ2 (0.36) HPGDMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL3613015 0.81 KCNQ2 (0.36) HPGDMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL3604067 0.81 HPGD (0.38) HPGDMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL3596158 0.80 BRD4 (0.41) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL3609776 0.79 KCNQ2 (0.35) HPGDMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL3600292 0.77 KMT2A (0.36) HPGDMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL3590985 0.76 KDM4E (0.37) HPGDMEN1KMT2AKCNQ2ALDH1A1
SCHEMBL3606335 0.75 KCNQ2 (0.35) HPGDMEN1KMT2AKCNQ2ALDH1A1

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 CACNA1F 698/4885CACNA1D 417/4885CACNA1S 503/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CACNA1F 698/4885CACNA1D 417/4885CACNA1S 503/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CACNA1F 698/4885CACNA1D 417/4885CACNA1S 503/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CACNA1F 698/4885CACNA1D 417/4885CACNA1S 503/4885

“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.