SCHEMBL2999679

SCHEMBL2999679

NC(=O)c1[c]ccc(C(=O)N2CCCC2C(N)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.50
▸ SCN9A Q15858 2/20 0.49
▸ VNN1 O95497 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.39
▸ SPHK1 Q9NYA1 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ PIK3CA P42336 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ FPR2 P25090 1/20 0.36

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
SCHEMBL4063717 0.76 GNE (0.50) CNR2SCN9ANPC1RAB9A
SCHEMBL13570373 0.75 SCN9A (0.58) CNR2SCN9AVNN1NPC1RAB9A
SCHEMBL13570410 0.74 CNR2 (0.53) CNR2SCN9ANPC1RAB9ASPHK2
SCHEMBL2999685 0.74 CNR2 (0.55) CNR2SCN9AVNN1SPHK2SPHK1
SCHEMBL3002690 0.73 PIM1 (0.39) SCN9A
SCHEMBL3004334 0.72 KDM1A (0.42) PIK3CA
SCHEMBL4927636 0.72 L3MBTL1 (0.53) CNR2SCN9AVNN1SPHK2SPHK1
SCHEMBL4927632 0.72 L3MBTL1 (0.53) CNR2SCN9AVNN1SPHK2SPHK1
SCHEMBL3001532 0.71 L3MBTL3 (0.52) PIK3CA
SCHEMBL4928499 0.71 DPP4 (0.51) CNR2SCN9AVNN1NPC1RAB9A

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 — — US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 CNR2 1935/4885SCN9A 3630/4885VNN1 2639/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 CNR2 1935/4885SCN9A 3630/4885VNN1 2639/4885

“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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