SCHEMBL83213

SCHEMBL83213

CC(CC(Cc1cccnc1)C(N)=O)C(=O)NCCCCCC1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM1 P11229 1/20 0.38
CHRM4 P08173 2/20 0.38
SLC1A2 P43004 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL82755 1.00 NAMPT (0.40) NAMPTCYP3A4CYP2C9MEN1HSP90AA1
SCHEMBL82395 0.99 NAMPT (0.41) NAMPTCYP3A4CYP2C9MEN1HSP90AA1
SCHEMBL83517 0.94 MEN1 (0.42) MEN1HSP90AA1KMT2ACHRM1CHRM4
SCHEMBL81701 0.87 NAMPT (0.55) NAMPTCYP3A4CYP2C9
SCHEMBL3092994 0.85 NAMPT (0.43) NAMPTCYP3A4CYP2C9
SCHEMBL3080363 0.84 NAMPT (0.45) NAMPTCYP3A4CYP2C9MEN1HSP90AA1
SCHEMBL3079575 0.83 NAMPT (0.45) NAMPTCYP3A4CYP2C9MEN1HSP90AA1
SCHEMBL3080177 0.81 HDAC3 (0.47) NAMPTCYP3A4CYP2C9KMT2A
SCHEMBL81394 0.79 PTAFR (0.49) NAMPTCYP3A4CYP2C9MEN1KMT2A
SCHEMBL82430 0.79 PTAFR (0.49) NAMPTCYP3A4CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4607319-B2 2011-01-05 JP claimed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US claimed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP claimed
JP-2002512190-A 2002-04-23 JP claimed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP claimed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO claimed

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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT NAMPT 2/4885CYP3A4 905/4885CYP2C9 810/4885

“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.