SCHEMBL13739303

SCHEMBL13739303

COc1cccc(S(=O)(=O)N2CCC(CCCCNC(=O)c3cc4cnccc4[nH]3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 0.58
▸ CYP2C9 P11712 1/20 0.50
▸ DRD2 P14416 1/20 0.46
▸ DRD3 P35462 1/20 0.46

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
SCHEMBL13739613 0.92 NAMPT (0.62) NAMPTCYP2C9
SCHEMBL13739405 0.91 NAMPT (0.58) NAMPTCYP2C9
SCHEMBL13740809 0.89 NAMPT (0.60) NAMPTCYP2C9
SCHEMBL13740492 0.89 NAMPT (0.65) NAMPTCYP2C9
SCHEMBL13739924 0.89 NAMPT (0.58) NAMPTCYP2C9
SCHEMBL13738960 0.88 NAMPT (0.59) NAMPTCYP2C9
SCHEMBL13741063 0.88 NAMPT (0.63) NAMPTCYP2C9
SCHEMBL29944175 0.88 NAMPT (0.63) NAMPTCYP2C9
SCHEMBL13740735 0.87 NAMPT (0.58) NAMPTCYP2C9
SCHEMBL13739163 0.87 NAMPT (0.56) NAMPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) VALO EARLY DISCOVERY, INC. 2017-05-18 — — US claimed
US-9555039-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) FORMA TM, LLC. (US) 2017-01-31 — — US claimed
US-20140248240-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) VALO HEALTH, INC. 2014-09-04 — — US claimed
WO-2012154194-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) FORMA TM, LLC (US) 2012-11-15 — — WO claimed
US-20190031686-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) VALO EARLY DISCOVERY, INC. 2019-01-31 — — US disclosed
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) VALO EARLY DISCOVERY, INC. 2017-05-18 — — US disclosed
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) VALO EARLY DISCOVERY, INC. 2017-05-18 — — US disclosed
US-9555039-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) FORMA TM, LLC. (US) 2017-01-31 — — US disclosed
US-20140248240-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) VALO HEALTH, INC. 2014-09-04 — — US disclosed
WO-2013170191-A1 METHODS OF USING ANTAGONISTS OF NAD BIOSYNTHESIS FROM NICOTINAMIDE GENENTECH, INC. (US) 2013-11-14 — — WO disclosed
WO-2012154194-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) FORMA TM, LLC (US) 2012-11-15 — — WO 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 (3 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-20190031686-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT NAMPT 1/4885CYP2C9 1616/4885DRD2 1549/4885
US-20170137441-A1 Piperidine Derivatives And Compositions For the Inhibition Of Nicotinamide Phosphoribosyltransferase (NAMPT) NAMPT, NAPRT, NNMT NAMPT 1/4885CYP2C9 1616/4885DRD2 1549/4885
US-20140248240-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT NAMPT 1/4885CYP2C9 1195/4885DRD2 1702/4885

“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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