SCHEMBL16776478

SCHEMBL16776478

C[C@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.39
▸ KARS1 Q15046 2/20 0.39
▸ KMO O15229 1/20 0.39
▸ SLC5A1 P13866 4/20 0.38
▸ CTSK P43235 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ AR P10275 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37

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
SCHEMBL16785537 1.00 SCN9A (0.39) SCN9AKARS1KMOSLC5A1CTSK
SCHEMBL16776480 0.91 TRPM8 (0.42) CTSKKCNH2PHGDHTRPV1AR
SCHEMBL16785582 0.89 ADORA2A (0.37) KARS1KMOSLC5A1ADORA2AFYN
SCHEMBL16776479 0.89 SLC5A1 (0.41) KMOSLC5A1TRPV1FYNJAK2
SCHEMBL16785527 0.88 MC4R (0.39) SCN9AKARS1ADORA2AFYN
SCHEMBL16776477 0.88 PTGS1 (0.40) CNR2
SCHEMBL19670600 0.87 KMO (0.38) SCN9AKARS1KMOSLC5A1CTSK
SCHEMBL16776472 0.87 CA2 (0.41) KMOSLC5A1ADORA2ATRPV1FYN
SCHEMBL16785531 0.86 KARS1 (0.36) KARS1KMOSLC5A1ADORA2AFYN
SCHEMBL16785530 0.86 KARS1 (0.38) KARS1KMOSLC5A1ADORA2AJAK2

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 SCN9A 3897/4885KARS1 1760/4885KMO 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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