SCHEMBL1188339

SCHEMBL1188339

O=C(O)CC1CCC(OC(=O)N2CCc3cc(NC(=O)Nc4ccccc4)ccc3C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.50
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TMPRSS2 O15393 3/20 0.44
NAMPT P43490 3/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 1/20 0.42
THRB P10828 1/20 0.41
SYK P43405 1/20 0.40
ABCB1 P08183 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL1188342 1.00 DGAT1 (0.50) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL1188466 0.93 KCNA1 (0.48) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL1188469 0.93 KCNA1 (0.48) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL1188083 0.92 NPC1 (0.48) DGAT1NPC1RAB9ATMPRSS2NAMPT
SCHEMBL1188081 0.92 NPC1 (0.48) DGAT1NPC1RAB9ATMPRSS2NAMPT
SCHEMBL10004792 0.92 NPC1 (0.48) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL1187108 0.92 NPC1 (0.48) DGAT1NPC1RAB9AKMT2ATMPRSS2
SCHEMBL1187111 0.92 NPC1 (0.48) DGAT1NPC1RAB9AKMT2ATMPRSS2
SCHEMBL10004790 0.92 NPC1 (0.48) DGAT1NPC1RAB9AMEN1KMT2A
SCHEMBL1189690 0.92 NAMPT (0.42) DGAT1TMPRSS2NAMPTSYK

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 8 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 claimed
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP claimed
US-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-10 US claimed
EP-2256105-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-01 EP claimed
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 DGAT1 1/4885NPC1 269/4885RAB9A 1878/4885

“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.