SCHEMBL16776369

SCHEMBL16776369

O=C(NCCCc1ccccn1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.41
▸ KCNH2 Q12809 7/20 0.41
▸ CHRM4 P08173 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ CTSB P07858 2/20 0.37
▸ CTSS P25774 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NAMPT P43490 2/20 0.36
▸ KMO O15229 1/20 0.36
▸ CACNA1B Q00975 2/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 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
SCHEMBL16776325 0.95 CHRM4 (0.40) CTSKKCNH2CHRM4SCN9AGRIN1
SCHEMBL16776305 0.90 ASAH1 (0.41) CTSKKCNH2CHRM4NAMPTKMO
SCHEMBL16776303 0.88 ASAH1 (0.44) NAMPTKMODRD2DRD3
SCHEMBL16776337 0.88 EPHB4 (0.39) CTSKKCNH2CHRM4GRIN1GRIN2B
SCHEMBL16776316 0.86 CA12 (0.42) CHRM4NAMPTKMO
SCHEMBL16776370 0.85 EPHX1 (0.40) CHRM4GRIN1GRIN2BNAMPT
SCHEMBL16776302 0.83 POLB (0.43) KMO
SCHEMBL16775892 0.83 FGFR4 (0.42) CTSKKCNH2SCN9AKMOPHGDH
SCHEMBL16776336 0.83 DGAT2 (0.44) KCNH2NAMPTKMODRD2DRD3
SCHEMBL16776331 0.82 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19NAMPT

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 CTSK 2442/4885KCNH2 4052/4885CHRM4 4421/4885

“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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