SCHEMBL16776014

SCHEMBL16776014

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H](C)CCN3)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.40
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ WNT3A P56704 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ VCP P55072 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL16776198 0.95 GRM5 (0.39) GRM5GSK3BDYRK1APTGS1PTGS2
SCHEMBL16776477 0.90 PTGS1 (0.40) GSK3BPTGS1PTGS2NTRK1
SCHEMBL16776023 0.89 GSK3B (0.36) GSK3BDYRK1AABL1KCNH2HRH3
SCHEMBL16776053 0.89 PTGS1 (0.42) GRM5PTGS1PTGS2NTRK1
SCHEMBL16776050 0.87 PRMT5 (0.38) GRM5GSK3BDYRK1APTGS1PTGS2
SCHEMBL16776480 0.86 TRPM8 (0.42) PTGS1PTGS2KCNH2
SCHEMBL16776200 0.85 FAAH (0.39) WNT3AKCNH2HRH3
SCHEMBL19365426 0.83 GSK3B (0.41) GRM5GSK3BDYRK1APTGS1PTGS2
SCHEMBL16776032 0.83 KCNH2 (0.41) GSK3BABL1KCNH2HRH3
SCHEMBL16775933 0.83 USP30 (0.39) GRM5ADORA2AADORA1

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 GRM5 3471/4885GSK3B 1728/4885DYRK1A 2623/4885

“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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