SCHEMBL14736545

SCHEMBL14736545

NCCc1ccn(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.56
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CASR P41180 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C8 P10632 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
MAOA P21397 1/20 0.43
NOTUM Q6P988 1/20 0.43
MPO P05164 2/20 0.43
TPO P07202 2/20 0.43
CYP3A4 P08684 2/20 0.43
HRH1 P35367 1/20 0.41
HTT P42858 2/20 0.40

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
SCHEMBL13741120 0.85 CASR (0.55) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL29655227 0.81 PDE10A (0.56) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL17356076 0.81 PDE10A (0.60) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL6527578 0.81 PDE10A (0.56) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL27959716 0.81 PDE10A (0.56) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL17261520 0.80 HTT (0.44) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL27603005 0.79 HDAC3 (0.57) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL15603518 0.79 L3MBTL1 (0.56) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL15603517 0.77 HDAC3 (0.63) PDE10AHDAC3HDAC1HDAC2HDAC10
SCHEMBL27603032 0.77 HDAC3 (0.59) PDE10AHDAC3HDAC1HDAC2HDAC10

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 8 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
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 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 (2 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 1/4885HDAC3 770/4885HDAC1 125/4885
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTT PDE10A 2807/4885HDAC3 90/4885HDAC1 66/4885

“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.