SCHEMBL16776337

SCHEMBL16776337

O=C(NCCCc1ccncc1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHB4 P54760 3/20 0.39
▸ CHRM4 P08173 1/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ ELANE P08246 1/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ CPT1B Q92523 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ CTSK P43235 4/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ KDR P35968 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ ASAH1 Q13510 2/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL16776305 0.94 ASAH1 (0.41) CHRM4NAMPTITGB3ITGA2BCTSK
SCHEMBL16776303 0.92 ASAH1 (0.44) NAMPTITGB3ITGA2BKMOASAH1
SCHEMBL16776370 0.92 EPHX1 (0.40) EPHB4CHRM4NAMPTITGB3ITGA2B
SCHEMBL16776316 0.90 CA12 (0.42) CHRM4NAMPTKMOASAH1TRPV1
SCHEMBL16776369 0.88 CTSK (0.41) CHRM4NAMPTCTSKKCNH2KMO
SCHEMBL16776320 0.87 KMT2A (0.43) EPHB4CHRM4GRIN1GRIN2BTRPV1
SCHEMBL16776331 0.85 CYP1A2 (0.43) NAMPT
SCHEMBL16776302 0.84 POLB (0.43) EPHB4KMO
SCHEMBL16776325 0.84 CHRM4 (0.40) CHRM4NAMPTCTSKKCNH2KMO
SCHEMBL16776356 0.83 CYP1A2 (0.38) NAMPTKMO

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 EPHB4 4864/4885CHRM4 4421/4885NAMPT 74/4885

“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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