SCHEMBL6092571

SCHEMBL6092571

CC(Oc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1)C1CCCN1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPT P10636 4/20 0.34
PNLIP P16233 1/20 0.34
GHSR Q92847 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL6920930 0.90 BRD4 (0.40) MAPTGHSRKMT2ATP53SMN1; SMN2
SCHEMBL5734631 0.85 PNLIP (0.39) ROCK2ROCK1MAPTPNLIPUSP2
SCHEMBL7367658 0.85 PNLIP (0.46) ROCK2ROCK1MAPTPNLIPUSP2
SCHEMBL5735672 0.83 MAPT (0.40) ROCK2ROCK1MAPTPNLIPUSP2
SCHEMBL6094289 0.80 LTA4H (0.44)
SCHEMBL6094280 0.80 LTA4H (0.44)
SCHEMBL6094395 0.80 LTA4H (0.44)
SCHEMBL4899666 0.79 MAPT (0.50) POLBMAPTPNLIPALDH1A1ALOX15
SCHEMBL6092578 0.78 HSD17B10 (0.41) MAPTHSD17B10TP53
SCHEMBL7398647 0.77 MAPT (0.53) POLBMAPTPNLIPALDH1A1ALOX15

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 8 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 claimed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 US claimed
EP-1210328-A1 FUSED PYRROLECARBOXAMIDES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-06-05 EP claimed
WO-2001016103-A1 FUSED PYRROLECARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2001-03-08 WO claimed
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
EP-1210328-A1 FUSED PYRROLECARBOXAMIDES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-06-05 EP disclosed
WO-2001016103-A1 FUSED PYRROLECARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2001-03-08 WO 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 POLB 758/4885ROCK2 4601/4885ROCK1 4691/4885

“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.