SCHEMBL367649

SCHEMBL367649

NCc1cc2ncc(-c3ccc(N4CCOCC4)nc3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.53
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 1/20 0.39
TDO2 P48775 1/20 0.38
AOC3 Q16853 1/20 0.37
PDE10A Q9Y233 2/20 0.37
ADK P55263 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
SCHEMBL339055 0.89 CNR2 (0.40) CNR2ALDH1A1DPP4
SCHEMBL339127 0.83 DPP4 (0.43) CNR2ALDH1A1DPP4
SCHEMBL339141 0.79 DPP4 (0.43) DPP4
SCHEMBL339714 0.79 DPP4 (0.45) ALDH1A1DPP4
SCHEMBL339336 0.78 DPP4 (0.43) DPP4
SCHEMBL339884 0.78 CYP3A4 (0.40) DPP4
SCHEMBL339822 0.77 CNR2 (0.45) CNR2ALDH1A1DPP4PDE10A
SCHEMBL339203 0.77 KDR (0.44) DPP4
SCHEMBL338630 0.76 DPP4 (0.45) DPP4
SCHEMBL339838 0.76 DPP4 (0.42) CNR2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC CNR2 2213/4885ALDH1A1 480/4885DPP4 120/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC CNR2 2213/4885ALDH1A1 480/4885DPP4 120/4885

“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.