SCHEMBL16776124

SCHEMBL16776124

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H](C)CCCN3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ GRM5 P41594 3/20 0.35
▸ EGFR P00533 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL16776230 0.90 PRMT5 (0.39) PTGS1PTGS2KMT2ANPSR1TSHR
SCHEMBL16776123 0.89 ABL1 (0.38) CNR2PTGS1PTGS2KMT2ANPSR1
SCHEMBL16785523 0.89 DRD2 (0.39) CNR2PTGS1PTGS2DRD2DRD4
SCHEMBL16776265 0.88 HTR1A (0.42) CNR2DRD2GSK3BDYRK1AGRM5
SCHEMBL16776198 0.87 GRM5 (0.39) PTGS1PTGS2GSK3BDYRK1AGRM5
SCHEMBL16776477 0.86 PTGS1 (0.40) CNR2ALDH1A1PTGS1PTGS2KMT2A
SCHEMBL16776050 0.85 PRMT5 (0.38) PTGS1PTGS2GSK3BDYRK1AGRM5
SCHEMBL16775933 0.84 USP30 (0.39) CNR2GRM5
SCHEMBL16776474 0.84 FAAH (0.39) KMOSIRT2VCPRPS6KA2
SCHEMBL16785537 0.83 SCN9A (0.39) CNR2KMO

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 CNR2 2514/4885ALDH1A1 1726/4885PTGS1 1022/4885

“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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