SCHEMBL16775883

SCHEMBL16775883

Cc1cnc2c(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4NCC[C@H]3C)cccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ EPHB4 P54760 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ MC4R P32245 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ JAK2 O60674 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
SCHEMBL16775889 0.92 TRPV1 (0.40) KDM1AMAOAMAOBDHODHADORA2A
SCHEMBL16776478 0.84 SCN9A (0.39) KDM1AMAOAMAOBADORA2AFYN
SCHEMBL16785537 0.84 SCN9A (0.39) KDM1AMAOAMAOBADORA2AFYN
SCHEMBL16776479 0.83 SLC5A1 (0.41) FYNEPHB4KMOCA2CA9
SCHEMBL16776472 0.82 CA2 (0.41) KDM1AADORA2AFYNEPHB4KMO
SCHEMBL16775863 0.82 TRPA1 (0.41) KDM1AMAOAMAOBADORA2AFYN
SCHEMBL16775899 0.82 ADORA2A (0.38) KDM1AMAOAMAOBADORA2AFYN
SCHEMBL16775999 0.80 ADORA2A (0.36) KDM1AMAOAMAOBDHODHADORA2A
SCHEMBL16785527 0.80 MC4R (0.39) ADORA2AFYNSCN9AMC4RMEN1
SCHEMBL16775862 0.80 CNR2 (0.40) KDM1AMAOAMAOBADORA2AFYN

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 KDM1A 859/4885MAOA 1519/4885MAOB 985/4885

“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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