SCHEMBL15021734

SCHEMBL15021734

Cc1c(Cl)nc(OCC2CC2c2ccccn2)nc1NCc1cnn(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00
NR1I2 O75469 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP3A4 P08684 1/20 1.00

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
SCHEMBL15032777 1.00 PDE10A (1.00) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL15032768 1.00 PDE10A (1.00) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL15022447 0.90 PDE10A (1.00) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL902857 0.90 PDE10A (1.00) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL15021756 0.88 PDE10A (1.00) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL902346 0.88 PDE10A (1.00) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL15032762 0.88 PDE10A (1.00) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL15021771 0.88 PDE10A (1.00) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL15021731 0.88 PDE10A (1.00) PDE10ANR1I2CYP2C9CYP3A4
SCHEMBL14721200 0.84 PDE10A (0.73) PDE10ANR1I2CYP2C9CYP3A4

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
EP-2621276-B1 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-12-27 EP claimed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US claimed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US claimed
EP-2621276-B1 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-12-27 EP disclosed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 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-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS PDE10A, PDE11A, PDE12 PDE10A 1/4885NR1I2 4311/4885CYP2C9 2563/4885

“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.