SCHEMBL3609631

SCHEMBL3609631

Cc1c(N)c(C)c2c(c1Cc1ccc(C(C)C)cc1)OC(C)(C)C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
IDO1 P14902 2/20 0.31
COPS5 Q92905 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
SCHEMBL3597136 0.78 SLC5A2 (0.39) HTR1DHTR1BIDO1
Hydrochloric Acid SCHEMBL8713150 0.75 DHFR (0.30)
SCHEMBL3594121 0.75 PNP (0.32) IDO1COPS5
SCHEMBL3608910 0.71 HTR1D (0.32) HTR1DHTR1BIDO1COPS5
SCHEMBL3602732 0.70 SLC5A1 (0.31) HTR1DHTR1BIDO1
SCHEMBL9571586 0.70 EZH2 (0.31)
SCHEMBL3605355 0.69 HTR1D (0.30) HTR1DHTR1BIDO1
SCHEMBL658195 0.69 ALDH1A1 (0.31)
SCHEMBL9571410 0.68
SCHEMBL3602501 0.68

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 HTR1D 304/4885HTR1B 156/4885IDO1 613/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR1D 304/4885HTR1B 156/4885IDO1 613/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR1D 304/4885HTR1B 156/4885IDO1 613/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 HTR1D 304/4885HTR1B 156/4885IDO1 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.