SCHEMBL2549644

SCHEMBL2549644

CC(C)(C)[Si](O[C@H]1CC[C@H](c2nc3ccc(OCC4CC4)cc3o2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.41
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACA Q13085 4/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
ACACB O00763 2/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL2549647 1.00 F2RL3 (0.41) F2RL3LMNAMAPTRECQLSMN1; SMN2
SCHEMBL2548497 0.84 MAOB (0.35) F2RL3SMN1; SMN2MAOAMAOBACHE
SCHEMBL2546035 0.77 F2RL3 (0.47) F2RL3LMNAMAPTRECQLSMN1; SMN2
SCHEMBL2546038 0.77 F2RL3 (0.47) F2RL3LMNAMAPTRECQLSMN1; SMN2
SCHEMBL14734858 0.75 F2RL3 (0.48) F2RL3LMNAMAPTSMN1; SMN2ACACA
SCHEMBL2551529 0.75 ACACB (0.43) F2RL3LMNAMAPTSMN1; SMN2ACACA
SCHEMBL2548901 0.75 F2RL3 (0.45) F2RL3LMNAMAPTRECQLSMN1; SMN2
SCHEMBL2551532 0.75 ACACB (0.43) F2RL3LMNAMAPTSMN1; SMN2ACACA
SCHEMBL2549907 0.75 ACACB (0.45) F2RL3LMNAMAPTRECQLSMN1; SMN2
SCHEMBL2549910 0.75 ACACB (0.45) F2RL3LMNAMAPTRECQLSMN1; SMN2

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 4185/4885LMNA 1054/4885MAPT 3952/4885

“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.