SCHEMBL5941500

SCHEMBL5941500

O=C(NCCCCC(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
DPP4 P27487 3/20 0.46
SLC6A5 Q9Y345 1/20 0.42
HIF1A Q16665 5/20 0.42
EPAS1 Q99814 5/20 0.42
PTAFR P25105 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CHRM4 P08173 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6259166 0.91 NAMPT (0.41) NAMPTSLC6A5PTAFRCHRM4
SCHEMBL6209605 0.91 DPP4 (0.44) NAMPTDPP4PTAFRALDH1A1
SCHEMBL6211236 0.89 PTAFR (0.40) NAMPTPTAFRALDH1A1CHRM4
SCHEMBL6212212 0.89 PTAFR (0.42) PTAFRALDH1A1RAB9A
SCHEMBL6212722 0.88 CHRM4 (0.43) NAMPTDPP4PTAFRCHRM4
SCHEMBL6209860 0.88 HDAC1 (0.44) DPP4PTAFRCHRM4
SCHEMBL6211981 0.87 ALDH1A1 (0.46) NAMPTPTAFRALDH1A1
SCHEMBL6211755 0.87 DPP4 (0.45) NAMPTDPP4SLC6A5HIF1AEPAS1
SCHEMBL6212088 0.87 SLC6A5 (0.40) NAMPTSLC6A5HIF1AEPAS1ALDH1A1
SCHEMBL6209099 0.86 ROCK2 (0.41) NAMPTDPP4PTAFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS NAMPT 1027/4885DPP4 3448/4885SLC6A5 2201/4885

“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.