SCHEMBL14736288

SCHEMBL14736288

Cn1cc(-c2cccnc2)nc1CCN

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 0.64
TLR8 Q9NR97 1/20 0.49
CYP2E1 P05181 2/20 0.47
CYP2A6 P11509 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2B6 P20813 2/20 0.47
CYP2C19 P33261 2/20 0.47
SPNS2 Q8IVW8 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
Hydrochloric Acid SCHEMBL14736269 0.99 PDE10A (0.62) PDE10ATLR8CYP2E1CYP2A6CYP2C9
SCHEMBL14736286 0.83 PDE10A (0.55) PDE10ATLR8CYP2E1CYP2A6CYP2C9
SCHEMBL14737036 0.83 PDE10A (0.57) PDE10ASPNS2
Hydrochloric Acid SCHEMBL14736092 0.82 PDE10A (0.56) PDE10ASPNS2
Hydrochloric Acid SCHEMBL14736675 0.82 PDE10A (0.56) PDE10ASPNS2
SCHEMBL14736400 0.79 PDE10A (0.60) PDE10A
SCHEMBL7513663 0.78 PDE10A (1.00) PDE10A
SCHEMBL12066168 0.77 PDE10A (0.73) PDE10A
SCHEMBL27656597 0.75 PDE10A (0.54) PDE10ATLR8CYP2E1CYP2A6CYP2C9
SCHEMBL24113730 0.75 PDE10A (0.69) 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 7 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
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 1/4885TLR8 4672/4885CYP2E1 1995/4885

“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.