SCHEMBL14736723

SCHEMBL14736723

Cn1ncc(C(=O)NCC2CC2)c1C(=O)NCCc1nc2ccccc2n1C

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.72
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL14736385 0.85 PDE10A (0.75) PDE10AALDH1A1GAARECQLTSHR
SCHEMBL14751722 0.84 PDE10A (1.00) PDE10AALDH1A1GAARECQLTSHR
SCHEMBL14751612 0.82 PDE10A (1.00) PDE10A
SCHEMBL14751469 0.82 PDE10A (1.00) PDE10A
SCHEMBL14736251 0.81 PDE10A (0.69) PDE10AALDH1A1GAARECQLTSHR
SCHEMBL14751474 0.80 PDE10A (1.00) PDE10A
SCHEMBL14736846 0.78 PDE10A (0.74) PDE10A
SCHEMBL14736534 0.78 PDE10A (0.73) PDE10A
SCHEMBL14736758 0.76 PDE10A (0.75) PDE10A
SCHEMBL17050825 0.71 ALDH1A1 (0.74) ALDH1A1GAARECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US 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 (1 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A PDE10A 1/4885ALDH1A1 775/4885GAA 250/4885

“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.