SCHEMBL16776474

SCHEMBL16776474

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccnn2)[C@H](C)CCN3)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 11/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ ADORA2A P29274 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ SLC5A1 P13866 1/20 0.34
▸ VCP P55072 2/20 0.33
▸ RPS6KA2 Q15349 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL16776124 0.84 CNR2 (0.38) SIRT2KMOVCPRPS6KA2
SCHEMBL16776190 0.83 FAAH (0.37) FAAHADORA2A
SCHEMBL16776263 0.83 FAAH (0.39) FAAH
SCHEMBL16775849 0.82 KDM4C (0.34) ADORA2AKMOVCPRPS6KA2CA9
SCHEMBL16776200 0.82 FAAH (0.39) FAAH
SCHEMBL16775907 0.80 PHGDH (0.39) KMOVCP
SCHEMBL16776477 0.79 PTGS1 (0.40) FAAH
SCHEMBL16776050 0.79 PRMT5 (0.38) FAAHRPS6KA2
SCHEMBL16775858 0.79 RPS6KA2 (0.36) ADORA2AKMORPS6KA2CA9
SCHEMBL16775859 0.79 RPS6KA2 (0.33) ADORA2AKMOVCPRPS6KA2CA9

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 FAAH 977/4885SIRT2 3/4885ADORA2A 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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