SCHEMBL14736857

SCHEMBL14736857

NC(=O)Cc1nc(-c2ccccc2)nn1CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
CREBBP Q92793 1/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
F2 P00734 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.38
ICMT O60725 1/20 0.38
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
PTGIR P43119 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
SCHEMBL14736859 0.83 PDE10A (0.47) PDE10ACREBBPRAB9AALDH1A1LMNA
SCHEMBL14736524 0.82 PDE10A (0.46) PDE10ARAB9AALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL14736798 0.82 PDE10A (0.46) PDE10ACREBBPRAB9AALDH1A1LMNA
SCHEMBL14736193 0.80 NR1H3 (0.56) PDE10ARAB9AALDH1A1LMNAKMT2A
SCHEMBL14765286 0.80 PDE10A (0.44) PDE10ACREBBPRAB9AALDH1A1LMNA
SCHEMBL14736479 0.79 PDE10A (0.61) PDE10ACREBBPRAB9AALDH1A1LMNA
SCHEMBL14736535 0.78 PDE10A (0.46) PDE10ARAB9AALDH1A1LMNAKMT2A
SCHEMBL14736090 0.76 PDE10A (0.49) PDE10ARAB9AALDH1A1LMNAKMT2A
SCHEMBL14736834 0.75 NR1H2 (0.50) PDE10ARAB9AALDH1A1KMT2ANPSR1
SCHEMBL14736860 0.74 HDAC1 (0.54) KMT2ANPSR1F2GAA

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 1/4885CREBBP 1036/4885RAB9A 109/4885

“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.