SCHEMBL3092994

SCHEMBL3092994

CC(CC(Cc1cccnc1)C(N)=O)C(=O)NCCCCC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 16/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ AGTR2 P50052 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
SCHEMBL81701 0.89 NAMPT (0.55) NAMPTCYP3A4CYP2C9
SCHEMBL82395 0.86 NAMPT (0.41) NAMPTCYP3A4CYP2C9
SCHEMBL82755 0.85 NAMPT (0.40) NAMPTCYP3A4CYP2C9
SCHEMBL83213 0.85 NAMPT (0.40) NAMPTCYP3A4CYP2C9
SCHEMBL83517 0.80 MEN1 (0.42) —
SCHEMBL3080177 0.80 HDAC3 (0.47) NAMPTCYP3A4CYP2C9
SCHEMBL3068565 0.79 NAMPT (0.49) NAMPTCYP3A4CYP2C9
SCHEMBL3073909 0.73 NAMPT (0.76) NAMPTCYP3A4CYP2C9
SCHEMBL3073910 0.73 NAMPT (0.76) NAMPTCYP3A4CYP2C9
SCHEMBL82028 0.73 HTR1A (0.51) —

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-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

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.

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