SCHEMBL14735975

SCHEMBL14735975

COC(=O)c1nc(C(F)(F)F)n(C)c1C(=O)NCCc1nc(-c2ccccc2)cn1C

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.75
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL14736122 0.92 PDE10A (0.79) PDE10A
SCHEMBL14736147 0.88 PDE10A (0.74) PDE10ACYP1A2CYP2C9HPGDCYP2C19
SCHEMBL14751729 0.86 PDE10A (1.00) PDE10A
SCHEMBL14736387 0.82 PDE10A (0.74) PDE10ACYP1A2CYP2C9HPGDCYP2C19
SCHEMBL14736471 0.79 PDE10A (0.78) PDE10A
SCHEMBL17004079 0.75 PDE10A (0.75) PDE10A
SCHEMBL14736565 0.75 PDE10A (0.60) PDE10A
SCHEMBL14736588 0.75 PDE10A (0.78) PDE10A
SCHEMBL17274166 0.74 PDE10A (0.56) PDE10A
SCHEMBL14751760 0.73 PDE10A (1.00) 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 4 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
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 1/4885CYP1A2 556/4885CYP2C9 716/4885

“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.