SCHEMBL16776060

SCHEMBL16776060

O=C(Nc1ccccn1)N1CCCNc2ccc(-c3cccc(N4CCCC4)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.43
▸ HTR1A P08908 3/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ VCP P55072 1/20 0.42
▸ KARS1 Q15046 2/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ RPS6KA2 Q15349 1/20 0.41
▸ DRD2 P14416 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ FAAH O00519 2/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ PHGDH O43175 1/20 0.36

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
SCHEMBL16776005 0.90 KARS1 (0.50) HTR1AHTR7KARS1SIRT2FAAH
SCHEMBL16775997 0.90 RPS6KA2 (0.41) HTR1AHTR7KARS1RPS6KA2CNR2
SCHEMBL16776049 0.88 FGFR4 (0.42) FGFR4VCPKARS1CAMK2DPRKCI
SCHEMBL16776159 0.88 KARS1 (0.46) FGFR4KARS1RPS6KA3RPS6KA2FAAH
SCHEMBL16775825 0.88 CNR2 (0.53) FGFR4RPS6KA3RPS6KA2CNR2SIRT2
SCHEMBL16775864 0.88 FGFR4 (0.44) FGFR4VCPRPS6KA3RPS6KA2CNR2
SCHEMBL16776072 0.87 VCP (0.42) FGFR4HTR1AHTR7VCPKARS1
SCHEMBL16776012 0.86 FGFR4 (0.43) FGFR4RPS6KA3RPS6KA2CNR2
SCHEMBL16776007 0.85 RPS6KA2 (0.42) KARS1RPS6KA3RPS6KA2CNR2CAMK2D
SCHEMBL16776019 0.85 FGFR4 (0.42) FGFR4CNR2GRM5CNR1

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 1754/4885HTR1A 4632/4885HTR7 4361/4885

“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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