SCHEMBL16776336

SCHEMBL16776336

Cc1nccn1CCCNC(=O)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.44
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ACP1 P24666 1/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ NAMPT P43490 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
SCHEMBL16776331 0.85 CYP1A2 (0.43) ALDH1A1NAMPT
SCHEMBL16776305 0.83 ASAH1 (0.41) ITGB3ITGA2BACP1DRD2DRD3
SCHEMBL16776369 0.83 CTSK (0.41) DRD2DRD3KMOKCNH2NAMPT
SCHEMBL16776303 0.82 ASAH1 (0.44) ITGB3ITGA2BACP1DRD2DRD3
SCHEMBL16776337 0.82 EPHB4 (0.39) ITGB3ITGA2BKMOKCNH2NAMPT
SCHEMBL16776356 0.82 CYP1A2 (0.38) DGAT2ALDH1A1KMONAMPT
SCHEMBL16776316 0.81 CA12 (0.42) DGAT2ALDH1A1ACP1KMOCNR2
SCHEMBL16776319 0.81 LMNA (0.45) KCNH2CNR2BRAF
SCHEMBL16776325 0.81 CHRM4 (0.40) DGAT2ALDH1A1KMOKCNH2NAMPT
SCHEMBL16776370 0.81 EPHX1 (0.40) ITGB3ITGA2BNAMPT

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 DGAT2 1047/4885ITGB3 4694/4885ITGA2B 4390/4885

“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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