SCHEMBL14736255

SCHEMBL14736255

COc1cccc(-c2cn(C)c(CCN)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.53
TLR8 Q9NR97 1/20 0.52
MAOB P27338 2/20 0.51
WDR5 P61964 1/20 0.50
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
RAB9A P51151 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
ALDH1A3 P47895 2/20 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 SCHEMBL14736366 0.99 TLR8 (0.54) PDE10ATLR8MAOBWDR5TP53
SCHEMBL259679 0.84 PDE10A (0.54) PDE10ATLR8WDR5TP53MAPT
SCHEMBL10099711 0.84 PDE10A (0.54) PDE10ATLR8WDR5TP53MAPT
SCHEMBL14736254 0.84 PDE10A (0.50) PDE10ATLR8WDR5TP53MAPT
SCHEMBL14737036 0.80 PDE10A (0.57) PDE10A
SCHEMBL14736793 0.80 PDE10A (0.61) PDE10AWDR5TP53MAPTGAA
Hydrochloric Acid SCHEMBL14736092 0.79 PDE10A (0.56) PDE10A
Hydrochloric Acid SCHEMBL14736675 0.79 PDE10A (0.56) PDE10A
SCHEMBL14736325 0.76 PDE10A (0.57) PDE10AWDR5TP53MAPTGAA
SCHEMBL14736288 0.74 PDE10A (0.64) PDE10ATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP claimed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP claimed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO 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 4672/4885MAOB 97/4885

“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.