SCHEMBL19670246

SCHEMBL19670246

C[C@H]1CCN(C)c2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.39
▸ PIK3CA P42336 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HCRTR1 O43613 4/20 0.36
▸ HCRTR2 O43614 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ PIK3CD O00329 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
SCHEMBL19670362 0.89 IRAK4 (0.39) SCN9AHCRTR1FYN
SCHEMBL19670418 0.88 MPL (0.42) SCN9AKDM1AMAOAMAOBCA2
SCHEMBL19670365 0.87 VCP (0.37) HCRTR1HCRTR2FGFR4
SCHEMBL19670420 0.87 HDAC2 (0.42) MTORADORA2AFGFR4
SCHEMBL19365595 0.86 MAPT (0.38) KDM1AMAOAMAOBCA2CA9
SCHEMBL19365596 0.86 ADORA2A (0.39) KDM1AMAOAMAOBCA2CA9
SCHEMBL19365294 0.85 VCP (0.35) —
SCHEMBL19365904 0.85 MAPT (0.43) CA2CA9TRPV1MAPTFYN
SCHEMBL19365287 0.85 VCP (0.35) HCRTR1HCRTR2MAPK1FGFR4
SCHEMBL19365387 0.85 VCP (0.35) HCRTR1HCRTR2MAPK1FGFR4

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCN9A 3897/4885PIK3CA 3691/4885MTOR 433/4885

“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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