SCHEMBL1189686

SCHEMBL1189686

O=C(O)CC1CCC(OC(=O)N2CCc3cc(NC(=O)Nc4ccncc4)ccc3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.42
DGAT1 O75907 1/20 0.41
SYK P43405 1/20 0.40
ROCK2 O75116 1/20 0.39
TMPRSS2 O15393 2/20 0.38
PKM P14618 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
SCHEMBL1189690 1.00 NAMPT (0.42) NAMPTDGAT1SYKROCK2TMPRSS2
SCHEMBL1188339 0.92 DGAT1 (0.50) NAMPTDGAT1SYKTMPRSS2
SCHEMBL1188342 0.92 DGAT1 (0.50) NAMPTDGAT1SYKTMPRSS2
SCHEMBL1187751 0.91 NAMPT (0.41) NAMPTSYKROCK2TMPRSS2
SCHEMBL1187749 0.91 NAMPT (0.41) NAMPTSYKROCK2TMPRSS2
SCHEMBL1188469 0.90 KCNA1 (0.48) NAMPTDGAT1SYKTMPRSS2
SCHEMBL1188466 0.90 KCNA1 (0.48) NAMPTDGAT1SYKTMPRSS2
SCHEMBL1187348 0.90 NPC1 (0.48) NAMPTDGAT1SYKROCK2PKM
SCHEMBL1187351 0.90 NPC1 (0.48) NAMPTDGAT1SYKROCK2PKM
SCHEMBL1188786 0.90 NAMPT (0.47) NAMPTDGAT1TMPRSS2

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-8735425-B2 Tetrahydroisoquinoline derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-27 US disclosed
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP disclosed
US-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2256105-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-01 EP 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-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DGAT1, DGAT2, DLAT NAMPT 934/4885DGAT1 1/4885SYK 4151/4885

“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.