SCHEMBL16775889

SCHEMBL16775889

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc2nccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.40
▸ KMO O15229 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ TOP2A P11388 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ SLC5A1 P13866 4/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ LCK P06239 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
SCHEMBL16775883 0.92 KDM1A (0.37) TRPV1KMOHCRTR1HCRTR2SCN9A
SCHEMBL16776478 0.86 SCN9A (0.39) TRPV1KMOHCRTR1HCRTR2SCN9A
SCHEMBL16785537 0.86 SCN9A (0.39) TRPV1KMOHCRTR1HCRTR2SCN9A
SCHEMBL16776479 0.85 SLC5A1 (0.41) TRPV1KMOFYNSLC5A1CA2
SCHEMBL16776472 0.84 CA2 (0.41) TRPV1KMOFYNSLC5A1KDM1A
SCHEMBL19670580 0.84 TRPV1 (0.43) TRPV1KMOHCRTR1HCRTR2SCN9A
SCHEMBL16776355 0.83 CA2 (0.41) TRPV1KMOFYNSLC5A1KDM1A
SCHEMBL16775862 0.82 CNR2 (0.40) KMOFYNKDM1AMAOAMAOB
SCHEMBL16775891 0.82 BRAF (0.36) TRPV1KMOSLC5A1KDM1AJAK2
SCHEMBL16785582 0.82 ADORA2A (0.37) KMOFYNSLC5A1KDM1AMAOA

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 1 patent. 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

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 3670/4885KMO 768/4885HCRTR1 2303/4885

“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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