SCHEMBL16775933

SCHEMBL16775933

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ ADORA2A P29274 2/20 0.38
▸ AR P10275 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ CPT2 P23786 1/20 0.37
▸ CPT1A P50416 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MLNR O43193 2/20 0.37
▸ MTOR P42345 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36

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
SCHEMBL16775991 0.90 THRB (0.39) USP30GRM5ADORA2AADORA1MLNR
SCHEMBL16775980 0.90 GRM5 (0.39) USP30GRM5ADORA2AARCPT2
SCHEMBL16776477 0.89 PTGS1 (0.40) CNR2
SCHEMBL16775934 0.88 USP30 (0.40) USP30GRM5ADORA2ALRRK2
SCHEMBL16775990 0.87 ADORA2A (0.39) USP30GRM5ADORA2ASYKMLNR
SCHEMBL16775985 0.86 GRM5 (0.38) USP30GRM5ADORA2AMLNRMTOR
SCHEMBL16776478 0.86 SCN9A (0.39) ADORA2AARCNR2
SCHEMBL16785537 0.86 SCN9A (0.39) ADORA2AARCNR2
SCHEMBL16776280 0.85 GSK3B (0.40) USP30ARCPT1ALRRK2
SCHEMBL19670231 0.85 USP30 (0.40) USP30GRM5ADORA2AARMAPK14

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 USP30 119/4885GRM5 3471/4885ADORA2A 2325/4885

“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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