SCHEMBL1188136

SCHEMBL1188136

CC(C)(C)OC(=O)N1CCc2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.55
▸ JAK2 O60674 2/20 0.53
▸ JAK3 P52333 2/20 0.53
▸ PTK2 Q05397 2/20 0.53
▸ NR1H2 P55055 1/20 0.49
▸ RAF1 P04049 1/20 0.49
▸ BRAF P15056 1/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MAPT P10636 5/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ EPHX2 P34913 2/20 0.47
▸ IDH1 O75874 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1188717 0.92 ESR2 (0.57) ESR2JAK2JAK3PTK2NR1H2
SCHEMBL1187947 0.91 ESR2 (0.58) ESR2JAK2JAK3PTK2NR1H2
SCHEMBL1189027 0.88 ESR2 (0.57) ESR2JAK2JAK3PTK2NR1H2
SCHEMBL1188540 0.88 ESR2 (0.62) ESR2NR1H2RAB9ANPC1MEN1
SCHEMBL1188304 0.87 ESR2 (0.58) ESR2NR1H2RAB9ANPC1PIK3CA
SCHEMBL1187825 0.87 ESR2 (0.53) ESR2JAK2JAK3PTK2NR1H2
SCHEMBL1188325 0.85 NPC1 (0.61) ESR2NR1H2RAB9ANPC1MAPT
SCHEMBL1188499 0.85 ESR2 (0.61) ESR2JAK2JAK3PTK2NR1H2
SCHEMBL1188340 0.85 ESR2 (0.53) ESR2JAK2JAK3PTK2NR1H2
SCHEMBL1187894 0.84 ESR2 (0.55) ESR2JAK2JAK3PTK2NR1H2

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 ESR2 3292/4885JAK2 2086/4885JAK3 3992/4885

“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.

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