SCHEMBL2691677

SCHEMBL2691677

CC(C)(C)N(C(=O)O)[C@@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 7/20 0.44
▸ DPP4 P27487 3/20 0.44
▸ DPP8 Q6V1X1 3/20 0.44
▸ DPP9 Q86TI2 3/20 0.44
▸ DPP7 Q9UHL4 3/20 0.44
▸ CHRM2 P08172 2/20 0.44
▸ PREP P48147 1/20 0.43
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ GRM4 Q14833 1/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM4 P08173 4/20 0.41
▸ GPR119 Q8TDV5 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
SCHEMBL2691675 1.00 PANK3 (0.44) PANK3DPP4DPP8DPP9DPP7
SCHEMBL2691679 1.00 PANK3 (0.44) PANK3DPP4DPP8DPP9DPP7
SCHEMBL1844336 0.82 PANK3 (0.49) PANK3DPP4DPP8DPP9DPP7
SCHEMBL26128961 0.77 PANK3 (0.45) PANK3DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL2694917 0.74 DPP4 (0.59) PANK3DPP4DPP8DPP9DPP7
Trifluoroacetic Acid SCHEMBL2694915 0.74 DPP4 (0.59) PANK3DPP4DPP8DPP9DPP7
SCHEMBL4789103 0.74 DPP4 (0.50) PANK3DPP4DPP8DPP9DPP7
SCHEMBL18701863 0.73 CHRM1 (0.52) PANK3DPP4DPP8DPP9DPP7
SCHEMBL4898809 0.72 KDM4E (0.47) PANK3DPP4DPP8DPP9DPP7
SCHEMBL4757514 0.72 KDM4E (0.47) PANK3DPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 — — 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 PANK3 224/4885DPP4 823/4885DPP8 1730/4885

“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.

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