SCHEMBL16775936

SCHEMBL16775936

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 5/20 0.43
▸ CNR2 P34972 2/20 0.39
▸ GRM5 P41594 3/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL16775866 0.92 FGFR4 (0.45) FGFR4NPY5RKMO
SCHEMBL16775850 0.91 FGFR4 (0.44) FGFR4GRM5NPY5RKMO
SCHEMBL16775857 0.88 FGFR4 (0.44) FGFR4GRM5KMOALDH1A1MEN1
SCHEMBL16776004 0.88 FGFR4 (0.42) FGFR4GRM5ALDH1A1MAPT
SCHEMBL16776049 0.88 FGFR4 (0.42) FGFR4CNR1
SCHEMBL16775825 0.88 CNR2 (0.53) FGFR4CNR2GRM5CNR1KMO
SCHEMBL16775913 0.86 MPL (0.42) CNR2GRM5CNR1KMOALDH1A1
SCHEMBL16775847 0.86 FGFR4 (0.43) FGFR4GRM5KMOALDH1A1MEN1
SCHEMBL16776021 0.86 FGFR4 (0.42) FGFR4
SCHEMBL16776040 0.85 FGFR4 (0.41) FGFR4GRM5CNR1

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 1754/4885CNR2 2514/4885GRM5 3471/4885

“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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