SCHEMBL16776100

SCHEMBL16776100

O=C(Nc1ccc(F)cn1)N1CCCNc2ccc(-c3cccc(CC(O)CO)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 6/20 0.42
▸ TRPV1 Q8NER1 3/20 0.36
▸ WNT1 P04628 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PRKCA P17252 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ NPY5R Q15761 1/20 0.32
▸ WNT3A P56704 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ SCN9A Q15858 2/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ MET P08581 1/20 0.31
▸ KDR P35968 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
SCHEMBL16776099 0.89 FGFR4 (0.40) FGFR4WNT1DYRK1AMET
SCHEMBL16775866 0.86 FGFR4 (0.45) FGFR4TRPV1NPY5RWNT3A
SCHEMBL19365462 0.85 FGFR4 (0.42) FGFR4TRPV1WNT1DYRK1APRKCA
SCHEMBL16775850 0.85 FGFR4 (0.44) FGFR4NPY5RCSF1RMETKDR
SCHEMBL16775936 0.84 FGFR4 (0.43) FGFR4NPY5RCNR1
SCHEMBL16776098 0.84 FGFR4 (0.43) FGFR4WNT3ACNR1KDR
SCHEMBL16775857 0.83 FGFR4 (0.44) FGFR4TRPV1
SCHEMBL16776049 0.83 FGFR4 (0.42) FGFR4TRPV1CNR1CSF1RMET
SCHEMBL16776004 0.83 FGFR4 (0.42) FGFR4GSK3B
SCHEMBL16776101 0.82 WDR5 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1754/4885TRPV1 3670/4885WNT1 3363/4885

“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.

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