SCHEMBL15968670

SCHEMBL15968670

Oc1ccc2nc(-c3ccc(OCC4CC4)c(F)c3F)oc2c1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.44
ESR1 P03372 5/20 0.44
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 2/20 0.32
ACACB O00763 6/20 0.32
PDE4B Q07343 2/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31

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
SCHEMBL15969100 0.85 ESR2 (0.39) ESR2ESR1
SCHEMBL15968947 0.83 ESR2 (0.45) ESR2ESR1
SCHEMBL15968710 0.79 ACACB (0.54) ACACB
SCHEMBL15968295 0.79 ACACB (0.46) ACACB
SCHEMBL24337629 0.74 ESR1 (0.42) ESR2ESR1HTR2AHTR2CHTR2B
SCHEMBL11939790 0.74 FEN1 (0.39) HTR2AHTR2CHTR2B
SCHEMBL11939060 0.74 FEN1 (0.39) HTR2AHTR2CHTR2B
SCHEMBL11938848 0.73 ALOX5AP (0.36)
SCHEMBL11938870 0.73 ALOX5AP (0.36)
SCHEMBL21567054 0.72 ACACB (0.36) HTR2AHTR2CHTR2BACACBPDE4B

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 3 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
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

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 ESR2 2876/4885ESR1 2402/4885HTR2A 2699/4885

“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.