SCHEMBL15968672

SCHEMBL15968672

CNC(=O)N[C@@H](C)COc1ccc2nc(-c3ccc(OCC4CC4)c(F)c3)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.53
ACACA Q13085 10/20 0.53
GPR119 Q8TDV5 1/20 0.40
F2RL3 Q96RI0 2/20 0.40
MAPT P10636 1/20 0.40
TLR7 Q9NYK1 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 0.92 ACACA (0.58) ACACBACACA
SCHEMBL15968649 0.92 ACACA (0.51) ACACBACACAGPR119F2RL3MAPT
SCHEMBL15980412 0.91 ACACA (0.50) ACACBACACAGPR119F2RL3MAPT
SCHEMBL15968371 0.91 ACACB (0.52) ACACBACACAGPR119F2RL3MAPT
SCHEMBL15968385 0.90 ACACB (0.54) ACACBACACAGPR119F2RL3MAPT
SCHEMBL15998339 0.88 ACACA (0.49) ACACBACACAGPR119F2RL3MAPT
SCHEMBL9113671 0.84 ACACB (0.51) ACACBACACAF2RL3
SCHEMBL15968073 0.84 ACACA (0.51) ACACBACACAGPR119
SCHEMBL15969553 0.84 ACACA (0.47) ACACBACACAGPR119F2RL3MAPT
SCHEMBL15969064 0.83 ACACA (0.59) ACACBACACA

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 7 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

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 ACACB 1112/4885ACACA 670/4885GPR119 1816/4885

“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.