SCHEMBL14736859

SCHEMBL14736859

NCCc1nc(-c2ccccc2)nn1CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NR1H3 Q13133 2/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MERTK Q12866 9/20 0.38
AXL P30530 6/20 0.38
TYRO3 Q06418 6/20 0.38
CREBBP Q92793 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP2 O95551 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
Hydrochloric Acid SCHEMBL14736798 0.99 PDE10A (0.46) PDE10ARAB9AMEN1MAPTKMT2A
SCHEMBL14765286 0.83 PDE10A (0.44) PDE10ARAB9AMEN1MAPTKMT2A
SCHEMBL14736857 0.83 PDE10A (0.47) PDE10ARAB9AMEN1MAPTKMT2A
SCHEMBL14736525 0.80 PDE10A (0.45) PDE10ARAB9AKMT2ANPSR1LMNA
SCHEMBL14736479 0.80 PDE10A (0.61) PDE10ARAB9AKMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL14736548 0.79 PDE10A (0.45) PDE10ARAB9AKMT2ANPSR1LMNA
SCHEMBL14736194 0.78 NR1H3 (0.60) PDE10ARAB9AKMT2ANPSR1LMNA
Hydrochloric Acid SCHEMBL14736427 0.77 NR1H3 (0.59) PDE10ARAB9AKMT2ANPSR1LMNA
SCHEMBL14736537 0.76 PDE10A (0.46) PDE10ARAB9AKMT2ANPSR1LMNA
Hydrochloric Acid SCHEMBL14736192 0.75 PDE10A (0.45) PDE10ARAB9AKMT2ANPSR1LMNA

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 1/4885RAB9A 109/4885MEN1 2291/4885

“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.