SCHEMBL897172

SCHEMBL897172

c1ccc(Cn2ccc(CNc3cc(OCC4CC4c4ccccn4)nc4ccnn34)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.69
NR1I2 O75469 2/20 0.67
CYP2C9 P11712 2/20 0.67
KCNN1 Q92952 1/20 0.41
KCNN2 Q9H2S1 1/20 0.41
KCNN3 Q9UGI6 1/20 0.41
CYP3A4 P08684 1/20 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
SCHEMBL897173 1.00 PDE10A (0.69) PDE10ANR1I2CYP2C9KCNN1KCNN2
SCHEMBL10085529 0.87 PDE10A (0.79) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL900313 0.87 PDE10A (0.76) PDE10ANR1I2CYP2C9
SCHEMBL14974283 0.87 PDE10A (0.76) PDE10ANR1I2CYP2C9
SCHEMBL14973870 0.87 PDE10A (0.76) PDE10ANR1I2CYP2C9
SCHEMBL14973950 0.83 PDE10A (0.77) PDE10ANR1I2CYP2C9
SCHEMBL14973951 0.83 PDE10A (0.77) PDE10ANR1I2CYP2C9
SCHEMBL14974076 0.83 PDE10A (0.74) PDE10ANR1I2CYP2C9
Fumaric Acid SCHEMBL14973853 0.83 PDE10A (0.67) PDE10ANR1I2CYP2C9
Fumaric Acid SCHEMBL14973856 0.83 PDE10A (0.67) PDE10ANR1I2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
EP-2621926-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-07 EP disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
WO-2012044562-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO 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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A PDE10A 4/4885NR1I2 3377/4885CYP2C9 1687/4885

“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.