SCHEMBL16775856

SCHEMBL16775856

CCN(CC)C(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2NCC[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ KDM1A O60341 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ SCN9A Q15858 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
SCHEMBL16775862 0.84 CNR2 (0.40) KCNH2KMOKDM1AMEN1POLB
SCHEMBL16776479 0.82 SLC5A1 (0.41) TRPV1KMOMEN1KMT2AJAK2
SCHEMBL19670341 0.82 KDM1A (0.37) TRPV1KCNH2KMOKDM1AMEN1
SCHEMBL16776434 0.81 PTGER3 (0.39) MEN1KMT2A
SCHEMBL16776472 0.81 CA2 (0.41) TRPV1KMOKDM1ACNR2JAK2
SCHEMBL16785534 0.81 SLC5A1 (0.43) —
SCHEMBL16776324 0.80 CHRM4 (0.41) TRPV1KMOMEN1KMT2ACASP6
SCHEMBL16785537 0.80 SCN9A (0.39) TRPV1KCNH2KMOKDM1ACNR2
SCHEMBL16776478 0.80 SCN9A (0.39) TRPV1KCNH2KMOKDM1ACNR2
SCHEMBL16776349 0.79 KMT2A (0.47) MEN1POLBKMT2AOPRK1ALDH1A1

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 TRPV1 3670/4885KCNH2 4052/4885KMO 768/4885

“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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