SCHEMBL16776266

SCHEMBL16776266

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)C2CCN3CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ FAAH O00519 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ KARS1 Q15046 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ EGFR P00533 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
SCHEMBL16776273 0.90 FAAH (0.36) GAAFAAHKMT2ADYRK1ANPC1
SCHEMBL17618744 0.90 GRM5 (0.47) FAAHKMT2ASIRT2KARS1RAB9A
SCHEMBL20631481 0.90 GAA (0.38) GAAFAAHKMT2ASIRT2KARS1
SCHEMBL16776256 0.90 GRM5 (0.40) FAAHSIRT2KARS1DYRK1ARAB9A
SCHEMBL16776262 0.88 FAAH (0.39) FAAHKMT2AKDM4ECA9KMO
SCHEMBL16776205 0.87 TSHR (0.46) FAAHKMT2AKDM4ECA9KMO
SCHEMBL19699090 0.86 DYRK1A (0.42) KARS1DYRK1ACA9GSK3B
SCHEMBL17778903 0.85 FAAH (0.35) GAAFAAHKMT2ADYRK1ANPC1
SCHEMBL16754331 0.85 FAAH (0.35) GAAFAAHKMT2ADYRK1ANPC1
SCHEMBL17618424 0.85 GRM5 (0.44) FAAHKMT2ASIRT2KARS1RAB9A

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 GAA 1368/4885FAAH 977/4885KMT2A 1438/4885

“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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