SCHEMBL3713846

SCHEMBL3713846

CC(C)CC(=O)N1CC=C(c2ccc(NC(=O)N3CCc4ccccc4C3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.73
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TAS1R2 Q8TE23 1/20 0.60

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
SCHEMBL3698570 0.87 NAMPT (0.92) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3700311 0.87 NAMPT (0.92) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3704207 0.85 NAMPT (0.71) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3706543 0.85 NAMPT (1.00) NAMPT
SCHEMBL3706158 0.84 NAMPT (0.74) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3706405 0.84 NAMPT (0.70) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3701542 0.84 NAMPT (0.84) NAMPT
SCHEMBL5518620 0.83 RAB9A (0.68) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3710712 0.83 NAMPT (0.70) NAMPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3704018 0.82 NAMPT (1.00) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP disclosed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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-20120122924-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT NAMPT 1/4885NPC1 88/4885ALDH1A1 1573/4885

“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.