SCHEMBL1189134

SCHEMBL1189134

CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
NPC1 O15118 5/20 0.64
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
PTK2 Q05397 1/20 0.54
ESR2 Q92731 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
BLM P54132 1/20 0.47
PIK3CA P42336 1/20 0.47

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
SCHEMBL1189309 0.92 RAB9A (0.54) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1190398 0.90 RAB9A (0.52) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL5460878 0.90 NPC1 (0.62) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1188142 0.89 CASP3 (0.51) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1188668 0.87 ESR2 (0.53) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL5465678 0.87 ESR2 (0.53) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1188873 0.86 ESR2 (0.53) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1187901 0.86 POLB (0.61) RAB9ANPC1JAK2JAK3PTK2
SCHEMBL1189512 0.86 RAB9A (0.59) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1187768 0.85 ESR2 (0.53) RAB9ANPC1CASP3SENP8SENP7

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 RAB9A 1878/4885NPC1 269/4885CASP3 2414/4885

“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.