SCHEMBL3604563

SCHEMBL3604563

Cc1c(C)c2c(c(C)c1NCc1ccccc1)C(c1cccc(C3OCCO3)c1)CO2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.32
CHRM3 P20309 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE2A O00408 1/20 0.31
HTR2C P28335 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
SCHEMBL3600845 0.91 PDE10A (0.32) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3597147 0.87 PDE10A (0.36) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3604568 0.84 CYP19A1 (0.43)
SCHEMBL3594284 0.82 HTT (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3592015 0.81 FFAR1 (0.35) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3606992 0.78 NPBWR1 (0.37) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3601467 0.77 CYP19A1 (0.32)
SCHEMBL3598746 0.77 CYP19A1 (0.32)
SCHEMBL3603206 0.77 KCNQ2 (0.43)
SCHEMBL3598812 0.75 HTT (0.35) PDE10ACHRM3PDE4APDE4BPDE4C

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3316863-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF Tarveda Therapeutics, Inc. (US) 2018-05-09 EP disclosed
WO-2017003940-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2017-01-05 WO disclosed
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-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 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
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 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 (6 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK PDE10A 2077/4885CHRM3 1753/4885PDE4A 2080/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 PDE10A 1151/4885CHRM3 649/4885PDE4A 2221/4885
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-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 PDE10A 1799/4885CHRM3 3251/4885PDE4A 1572/4885
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.