SCHEMBL16776305

SCHEMBL16776305

O=C(NCCCc1ccccc1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 3/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ CTSK P43235 2/20 0.38
▸ MC4R P32245 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ GPR52 Q9Y2T5 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL16776303 0.98 ASAH1 (0.44) ASAH1DRD2DRD3NAMPTFAAH
SCHEMBL16776316 0.95 CA12 (0.42) ASAH1NAMPTFAAHKMOCA12
SCHEMBL16776337 0.94 EPHB4 (0.39) ASAH1NAMPTKMOCTSKITGB3
SCHEMBL16776370 0.92 EPHX1 (0.40) NAMPTEPHX2ITGB3ITGA2BCHRM4
SCHEMBL16776302 0.90 POLB (0.43) FAAHKMOACP1CNR2
SCHEMBL16776369 0.90 CTSK (0.41) DRD2DRD3NAMPTKMOCTSK
SCHEMBL16776320 0.87 KMT2A (0.43) CHRM4
SCHEMBL16776325 0.86 CHRM4 (0.40) NAMPTKMOCTSKCHRM4KCNH2
SCHEMBL16776331 0.84 CYP1A2 (0.43) NAMPT
SCHEMBL16776319 0.83 LMNA (0.45) EPHX2CTSKCNR2KCNH2

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 ASAH1 2559/4885DRD2 4619/4885DRD3 4572/4885

“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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