SCHEMBL10032963

SCHEMBL10032963

[C-]#[N+]c1ccccc1CN

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.44
DPP4 P27487 3/20 0.41
LOXL2 Q9Y4K0 2/20 0.35
TAAR1 Q96RJ0 6/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.30

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
SCHEMBL2616314 0.76 MGLL (0.42)
SCHEMBL5570756 0.76 PNMT (0.44) PNMTDPP4LOXL2TAAR1SLC6A2
SCHEMBL15247 0.73 PNMT (0.63) PNMTDPP4LOXL2TAAR1CYP2A6
SCHEMBL29405036 0.73 PNMT (0.63) PNMTDPP4LOXL2TAAR1CYP2A6
SCHEMBL409191 0.73 CYP2A6 (0.31) CYP2A6
SCHEMBL30050643 0.73 CYP2A6 (0.31) CYP2A6
SCHEMBL11831272 0.71 GABRA1 (0.42) SLC6A2SLC6A4
SCHEMBL2662565 0.71 GABRA1 (0.47) TAAR1SLC6A2SLC6A4SLC6A3CYP2A6
SCHEMBL9917355 0.71 RIPK1 (0.43) TAAR1SLC6A2
Benzene SCHEMBL734438 0.70 DPP4 (0.62) PNMTDPP4LOXL2TAAR1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841447-B2 Process for the preparation of alogliptin MAPI PHARMA LTD. (IL) 2014-09-23 US disclosed
US-20120029000-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN MAPI PHARMA LIMITED (IL) 2012-02-02 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-20120029000-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN DPP7, DPP4, DPP8 PNMT 3315/4885DPP4 2/4885LOXL2 2801/4885

“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.