SCHEMBL16776053

SCHEMBL16776053

Cc1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H](C)CCN2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ GRM5 P41594 6/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16776014 0.89 GRM5 (0.40) PTGS1PTGS2GRM5NTRK1
SCHEMBL16776477 0.87 PTGS1 (0.40) PTGS1PTGS2NTRK1GAANPC1
SCHEMBL16776198 0.83 GRM5 (0.39) PTGS1PTGS2GRM5NTRK1
SCHEMBL16776050 0.83 PRMT5 (0.38) PTGS1PTGS2GRM5NTRK1
SCHEMBL16776480 0.81 TRPM8 (0.42) PTGS1PTGS2KDM4E
SCHEMBL16775933 0.80 USP30 (0.39) GRM5
SCHEMBL16785537 0.80 SCN9A (0.39) —
SCHEMBL16776478 0.80 SCN9A (0.39) —
SCHEMBL16776124 0.79 CNR2 (0.38) PTGS1PTGS2GRM5KDM4ENPC1
SCHEMBL16776232 0.78 ABL1 (0.39) PTGS1PTGS2

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 PTGS1 1022/4885PTGS2 1382/4885GRM5 3471/4885

“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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