SCHEMBL16775917

SCHEMBL16775917

COc1cncc(NC(=O)N2CCCNc3ccc(-c4cccc(Cl)c4)nc32)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.40
▸ BRAF P15056 3/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ FGFR4 P22455 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ KMO O15229 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
SCHEMBL16776109 0.90 KARS1 (0.38) GRM5CNR1ADORA3ADORA2BADORA1
SCHEMBL16775996 0.88 DYRK1A (0.43) BRAFADORA3ADORA2BADORA1
SCHEMBL16775906 0.87 P2RY1 (0.40) CNR2CNR1ADORA3ADORA2BADORA1
SCHEMBL16776229 0.86 CYP11B2 (0.37) GRM5FGFR4MAPTMAPK1RPS6KA2
SCHEMBL16775913 0.82 MPL (0.42) GRM5CNR2CNR1ADORA3ADORA2B
SCHEMBL16775825 0.82 CNR2 (0.53) GRM5CNR2CNR1FGFR4ALDH1A1
SCHEMBL16775912 0.82 RPS6KA3 (0.41) CNR2CNR1GAAMAPTMAPK1
SCHEMBL16775910 0.81 TSHR (0.48) MAPT
SCHEMBL16775936 0.81 FGFR4 (0.43) GRM5CNR2CNR1FGFR4MEN1
SCHEMBL16775916 0.81 FAAH (0.38) GRM5CNR2CNR1MEN1ALDH1A1

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 GRM5 3471/4885BRAF 3419/4885CNR2 2514/4885

“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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