SCHEMBL6092982

SCHEMBL6092982

CCN(C)c1ccc(NC(=O)c2cn(C)c3c2C(=O)CCC3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
DGAT1 O75907 4/20 0.37
FGFR3 P22607 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
AOC3 Q16853 1/20 0.34
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL6772013 0.78 LMNA (0.50) GAAMAPK1MAPTTP53KDM4E
SCHEMBL6094152 0.69 ROCK2 (0.35) DGAT1MAPTTP53PIK3CAMTOR
SCHEMBL7368988 0.67 MAPT (0.48) GAAMAPK1MAPTTP53KDM4E
SCHEMBL6093288 0.61 ROCK2 (0.39) MAPK1MAPTTP53ALDH1A1KMT2A
SCHEMBL15962633 0.61 PIK3CA (0.55) TRPV1DGAT1PIK3CAMTORRAB9A
SCHEMBL6093985 0.61 ROCK2 (0.35) MAPTKMT2ANPSR1RAB9A
SCHEMBL6092075 0.60 HCAR3 (0.40) MAPK1MAPTTP53ALDH1A1KMT2A
SCHEMBL30010142 0.60 TRPV1 (0.55) TRPV1DGAT1PIK3CAMTORRAB9A
SCHEMBL6092785 0.60 KIT (0.41) MAPTKDM4EALDH1A1KMT2AKIT
SCHEMBL6394774 0.59 ROCK2 (0.42) MAPTTP53ALDH1A1KMT2ANPSR1

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-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands GABRB2, GABRB1, GABRB3 TRPV1 780/4885DGAT1 4386/4885FGFR3 3570/4885

“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.