SCHEMBL2999685

SCHEMBL2999685

NC(=O)C1CCCN1C(=O)c1ccc(N)cn1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.55
▸ SCN9A Q15858 1/20 0.48
▸ DGAT1 O75907 7/20 0.47
▸ VNN1 O95497 1/20 0.46
▸ PIK3CA P42336 1/20 0.42
▸ SPHK2 Q9NRA0 1/20 0.42
▸ SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL4927632 0.80 L3MBTL1 (0.53) CNR2SCN9ADGAT1VNN1SPHK2
SCHEMBL4927636 0.80 L3MBTL1 (0.53) CNR2SCN9ADGAT1VNN1SPHK2
SCHEMBL4928498 0.78 DPP4 (0.51) CNR2SCN9ADGAT1VNN1PIK3CA
SCHEMBL4928499 0.78 DPP4 (0.51) CNR2SCN9ADGAT1VNN1PIK3CA
SCHEMBL13570410 0.76 CNR2 (0.53) CNR2SCN9ASPHK2
SCHEMBL5909207 0.76 CNR2 (0.48) CNR2SCN9AVNN1
SCHEMBL5909210 0.76 CNR2 (0.48) CNR2SCN9AVNN1
SCHEMBL13570373 0.75 SCN9A (0.58) CNR2SCN9AVNN1SPHK2SPHK1
SCHEMBL20811691 0.74 CNR2 (0.47) CNR2SCN9AVNN1PIK3CASPHK2
SCHEMBL2999679 0.74 CNR2 (0.50) CNR2SCN9AVNN1PIK3CASPHK2

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 3630/4885DGAT1 2575/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 CNR2 1935/4885SCN9A 3630/4885DGAT1 2575/4885

“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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