SCHEMBL1187906

SCHEMBL1187906

O=C(O)CC1CCC(OC(=O)N2CCc3cc(NC(=O)Nc4cncc(Cl)c4)ccc3C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
TMPRSS2 O15393 4/20 0.39
DGAT1 O75907 1/20 0.37
ROCK2 O75116 1/20 0.37
NAMPT P43490 6/20 0.37
KCNA1 Q09470 2/20 0.36
KCNAB1 Q14722 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CNR1 P21554 1/20 0.36
MOGAT2 Q3SYC2 1/20 0.35

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
SCHEMBL13009363 1.00 SYK (0.40) SYKTMPRSS2DGAT1ROCK2NAMPT
SCHEMBL1187908 1.00 SYK (0.40) SYKTMPRSS2DGAT1ROCK2NAMPT
SCHEMBL1188546 0.92 SYK (0.39) SYKTMPRSS2ROCK2NAMPTKCNA1
SCHEMBL1188550 0.92 SYK (0.39) SYKTMPRSS2ROCK2NAMPTKCNA1
SCHEMBL10004460 0.91 TMPRSS2 (0.41) SYKTMPRSS2DGAT1ROCK2NAMPT
SCHEMBL10004457 0.91 TMPRSS2 (0.41) SYKTMPRSS2DGAT1ROCK2NAMPT
SCHEMBL1188471 0.91 KCNA1 (0.40) SYKTMPRSS2DGAT1ROCK2NAMPT
SCHEMBL1188468 0.91 KCNA1 (0.40) SYKTMPRSS2DGAT1ROCK2NAMPT
SCHEMBL10004792 0.90 NPC1 (0.48) TMPRSS2DGAT1NAMPTNPC1CASP3
SCHEMBL10004790 0.90 NPC1 (0.48) TMPRSS2DGAT1NAMPTNPC1CASP3

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 SYK 4151/4885TMPRSS2 2446/4885DGAT1 1/4885

“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.