SCHEMBL2549910

SCHEMBL2549910

CC(O)COC1CCC(c2nc3ccc(OCC4CC4)cc3o2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.45
F2RL3 Q96RI0 3/20 0.43
ACACA Q13085 7/20 0.41
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2549907 1.00 ACACB (0.45) ACACBF2RL3ACACAMAPTLMNA
SCHEMBL2551529 0.90 ACACB (0.43) ACACBF2RL3ACACAMAPTLMNA
SCHEMBL2551532 0.90 ACACB (0.43) ACACBF2RL3ACACAMAPTLMNA
SCHEMBL2549927 0.86 ACACB (0.64) ACACBACACA
SCHEMBL2549938 0.86 ACACB (0.64) ACACBACACA
SCHEMBL2553399 0.85 ACACB (0.42) ACACBF2RL3ACACAMAPTLMNA
SCHEMBL2553397 0.85 ACACB (0.42) ACACBF2RL3ACACAMAPTLMNA
SCHEMBL2548902 0.84 F2RL3 (0.45) ACACBF2RL3ACACAMAPTLMNA
SCHEMBL2548901 0.84 F2RL3 (0.45) ACACBF2RL3ACACAMAPTLMNA
SCHEMBL2546035 0.82 F2RL3 (0.47) ACACBF2RL3ACACAMAPTLMNA

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 ACACB 3/4885F2RL3 4185/4885ACACA 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.