SCHEMBL6093353

SCHEMBL6093353

O=C(Nc1ccc(OCCNCC2CC2)c(F)c1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.38
KDR P35968 5/20 0.37
SCN8A Q9UQD0 3/20 0.37
SCN10A Q9Y5Y9 3/20 0.37
MERTK Q12866 3/20 0.37
MET P08581 7/20 0.36
BRD4 O60885 1/20 0.35
BUB1 O43683 1/20 0.34
TYRO3 Q06418 2/20 0.34

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
SCHEMBL6093409 0.91 CASP6 (0.36) AXLKDRMERTKMETBRD4
SCHEMBL4322760 0.89 KDR (0.38) AXLKDRSCN8ASCN10AMERTK
Hydrochloric Acid SCHEMBL6095387 0.88 KDR (0.38) AXLKDRSCN8ASCN10AMERTK
SCHEMBL6094009 0.87 MCHR1 (0.38) AXLKDRSCN8ASCN10AMERTK
SCHEMBL6094246 0.87 KDR (0.39) AXLKDRSCN8ASCN10ABRD4
SCHEMBL6093279 0.86 KDR (0.39) AXLKDRSCN8ASCN10AMET
SCHEMBL6093281 0.86 TP53 (0.38) SCN8ASCN10ABUB1
SCHEMBL6094466 0.84 ALDH1A1 (0.40) METBRD4BUB1
SCHEMBL6094454 0.84 KCNQ3 (0.42) AXLKDRSCN8ASCN10AMET
SCHEMBL6092968 0.83 KDR (0.51) AXLKDRMETBRD4

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 12 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
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US claimed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US 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
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US disclosed
US-6515140-B2 Psychological disorders; sleep disorders; anticonvulsants; cognition activators; drug abruse NEUROGEN CORPORATION 2003-02-04 US disclosed
EP-1210328-A1 FUSED PYRROLECARBOXAMIDES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-06-05 EP disclosed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US disclosed
US-6211365-B1 BRAIN DISORDERS NEUROGEN CORPORATION 2001-04-03 US 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 (3 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 AXL 2155/4885KDR 2313/4885SCN8A 1032/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 AXL 1056/4885KDR 3570/4885SCN8A 514/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 AXL 1001/4885KDR 3491/4885SCN8A 542/4885

“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.