SCHEMBL3600845

SCHEMBL3600845

Cc1c(C)c2c(c(C)c1NCc1ccccc1)C(c1ccc(C3OCCO3)cc1)CO2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
CHRM3 P20309 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HTT P42858 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
SCHEMBL3604563 0.91 PDE10A (0.32) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3597147 0.90 PDE10A (0.36) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3594284 0.89 HTT (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3592015 0.88 FFAR1 (0.35) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3606992 0.85 NPBWR1 (0.37) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3591117 0.80 NPBWR1 (0.37) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3604568 0.78 CYP19A1 (0.43)
SCHEMBL3598812 0.77 HTT (0.35) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3592108 0.76 NPBWR1 (0.37) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3590358 0.74 SMN1; SMN2 (0.37) PDE10A

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 10 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-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 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 (5 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 PDE10A 1151/4885CHRM3 649/4885PDE4A 2221/4885
US-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 PDE10A 1532/4885CHRM3 4868/4885PDE4A 1219/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PDE10A 1151/4885CHRM3 649/4885PDE4A 2221/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PDE10A 1151/4885CHRM3 649/4885PDE4A 2221/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PDE10A 1151/4885CHRM3 649/4885PDE4A 2221/4885

“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.