SCHEMBL3594629

SCHEMBL3594629

COc1cc(C)c(N)c(C)c1Cc1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
IDO1 P14902 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3604919 0.84 SLC5A2 (0.43) SLC5A1SLC5A2IDO1GAAPOLB
SCHEMBL3594435 0.78 SLC5A1 (0.42) SLC5A1SLC5A2IDO1ALDH1A1L3MBTL1
SCHEMBL3605468 0.75 HIF1A (0.39) SLC5A1SLC5A2GAAALDH1A1L3MBTL1
SCHEMBL27776614 0.74 IDO1 (0.44) IDO1GAAALDH1A1HTR1DHTR1B
SCHEMBL3598345 0.72 L3MBTL1 (0.43) SLC5A1SLC5A2ALDH1A1L3MBTL1
SCHEMBL8130200 0.71 CYP3A4 (0.46) POLBGFERALDH1A1CYP19A1
SCHEMBL1539282 0.70 SLC5A2 (0.54) SLC5A1SLC5A2
SCHEMBL3604344 0.68 KDM4E (0.36) SLC5A1IDO1ALDH1A1HTR1DHTR1B
SCHEMBL3594565 0.67 BCHE (0.43) GAAL3MBTL1
SCHEMBL19019516 0.66 CA2 (0.50) GAAPOLBALDH1A1L3MBTL1

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 SLC5A1 2023/4885SLC5A2 2887/4885IDO1 613/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A1 2023/4885SLC5A2 2887/4885IDO1 613/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A1 2023/4885SLC5A2 2887/4885IDO1 613/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 SLC5A1 2023/4885SLC5A2 2887/4885IDO1 613/4885

“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.