SCHEMBL2546035

SCHEMBL2546035

O[C@H]1CC[C@H](c2nc3ccc(OCC4CC4)cc3o2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.47
CHEK2 O96017 1/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.41
ACACA Q13085 3/20 0.41
ACACB O00763 2/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2546038 1.00 F2RL3 (0.47) F2RL3CHEK2LMNAMAPTACACA
SCHEMBL14734858 0.86 F2RL3 (0.48) F2RL3LMNAMAPTACACAACACB
SCHEMBL2548902 0.82 F2RL3 (0.45) F2RL3LMNAMAPTACACAACACB
SCHEMBL2549910 0.82 ACACB (0.45) F2RL3LMNAMAPTACACAACACB
SCHEMBL2548901 0.82 F2RL3 (0.45) F2RL3LMNAMAPTACACAACACB
SCHEMBL2549907 0.82 ACACB (0.45) F2RL3LMNAMAPTACACAACACB
SCHEMBL2551529 0.80 ACACB (0.43) F2RL3LMNAMAPTACACAACACB
SCHEMBL2551532 0.80 ACACB (0.43) F2RL3LMNAMAPTACACAACACB
SCHEMBL2547192 0.78 MAOB (0.42) CHEK2
SCHEMBL2547190 0.78 MAOB (0.42) CHEK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
EP-2563765-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US 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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB F2RL3 4185/4885CHEK2 787/4885LMNA 1054/4885

“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.