SCHEMBL14736640

SCHEMBL14736640

Cn1cc(-c2cccnc2)nc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.54
IDO1 P14902 1/20 0.50
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL14736561 0.89 PDE10A (0.51) PDE10AALDH1A1GFER
SCHEMBL14736400 0.84 PDE10A (0.60) PDE10A
SCHEMBL14736325 0.82 PDE10A (0.57) PDE10AALDH1A1GFERRAB9A
Iodide SCHEMBL14736217 0.82 ALDH1A1 (0.46) PDE10AALDH1A1GFER
SCHEMBL14736629 0.78 PDE10A (0.56) PDE10AIDO1ALDH1A1GFER
SCHEMBL23291114 0.78 IDO1 (0.55) IDO1CYP3A4RAB9ANAMPT
SCHEMBL14736426 0.77 IDO1 (0.58) IDO1CYP3A4RAB9ANAMPT
SCHEMBL20777607 0.77 IDO1 (0.59) IDO1CYP3A4RAB9ANAMPT
SCHEMBL12303191 0.76 CYP3A4 (0.53) IDO1CYP3A4NAMPT
SCHEMBL1929544 0.76 HDAC1 (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP 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 1/4885IDO1 1336/4885CYP3A4 1490/4885

“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.