SCHEMBL1493744

SCHEMBL1493744

NC(=O)C1CCCN1C(=O)COS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.51
▸ ACE P12821 1/20 0.45
▸ SPHK2 Q9NRA0 1/20 0.45
▸ SPHK1 Q9NYA1 1/20 0.45
▸ HTR1A P08908 7/20 0.44
▸ HTR7 P34969 7/20 0.44
▸ CPT2 P23786 1/20 0.43
▸ CPT1A P50416 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11481661 0.81 CPT1A (0.60) DPP4SPHK2SPHK1CPT2CPT1A
SCHEMBL7167933 0.81 CPT1A (0.60) DPP4SPHK2SPHK1CPT2CPT1A
SCHEMBL12757985 0.79 PREP (0.57) DPP4
SCHEMBL27879394 0.78 ITGB1 (0.39) DPP4ALDH1A1
SCHEMBL756323 0.78 ITGB1 (0.39) DPP4ALDH1A1
SCHEMBL1493782 0.77 OPRM1 (0.41) —
SCHEMBL2177077 0.76 DPP4 (0.57) DPP4ACESPHK2SPHK1HTR1A
SCHEMBL474918 0.76 DPP4 (0.57) DPP4ACESPHK2SPHK1HTR1A
SCHEMBL31324114 0.74 SPHK1 (0.57) DPP4ACESPHK2SPHK1CPT2
SCHEMBL1493731 0.74 POLB (0.60) ALDH1A1SMN1; SMN2

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
US-7915427-B2 Process for producing aminoacetyl pyrrolidine carbonitrile derivative and intermediate for production thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2011-03-29 — — US disclosed
US-7915427-B2 Process for producing aminoacetyl pyrrolidine carbonitrile derivative and intermediate for production thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2011-03-29 — — US disclosed
US-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2009-02-19 — — US disclosed
US-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2009-02-19 — — US disclosed
EP-1995237-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE AND PRODUCTION INTERMEDIATE THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2008-11-26 — — EP 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-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof CBR3, CPS1, CBR1 DPP4 2863/4885ACE 924/4885SPHK2 3104/4885

“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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