SCHEMBL14908394

SCHEMBL14908394

CC(=O)N[C@@H](C)C(C)Oc1ccc2nc(-c3ccc(OCC4CC4)c(F)c3)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 12/20 0.54
ACACB O00763 15/20 0.50
F2RL3 Q96RI0 2/20 0.41
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL15969343 0.89 ACACA (0.58) ACACAACACB
SCHEMBL15968649 0.84 ACACA (0.51) ACACAACACBF2RL3GPR119
SCHEMBL15968371 0.83 ACACB (0.52) ACACAACACBF2RL3GPR119
SCHEMBL15980412 0.83 ACACA (0.50) ACACAACACBF2RL3GPR119
SCHEMBL15968672 0.82 ACACB (0.53) ACACAACACBF2RL3GPR119
SCHEMBL14908396 0.82 ACACA (0.50) ACACAACACB
SCHEMBL15968385 0.82 ACACB (0.54) ACACAACACBF2RL3GPR119
SCHEMBL15968073 0.81 ACACA (0.51) ACACAACACBGPR119
SCHEMBL15998339 0.80 ACACA (0.49) ACACAACACBF2RL3GPR119
SCHEMBL15969553 0.80 ACACA (0.47) ACACAACACBF2RL3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
WO-2013061962-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2013-05-02 WO 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 ACACA 670/4885ACACB 1112/4885F2RL3 4661/4885

“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.