SCHEMBL6095405

SCHEMBL6095405

CN(C)CCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
KDR P35968 5/20 0.45
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MCL1 Q07820 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MCHR1 Q99705 3/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL5735674 0.90 MAPT (0.43) KDRMAPTTP53RAB9ANPC1
SCHEMBL6095646 0.89 MCHR1 (0.50) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL6094557 0.89 LMNA (0.44) KDRMAPTTP53RAB9ANPC1
SCHEMBL5734635 0.88 TP53 (0.41) KDRMAPTTP53RAB9ANPC1
SCHEMBL6092697 0.87 MAPT (0.41) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7392174 0.86 TP53 (0.52) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL6094108 0.86 MAPT (0.39) KDRMAPTTP53RAB9ANPC1
SCHEMBL6093068 0.86 MAPT (0.42) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL6095941 0.85 MAPT (0.42) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL6094595 0.85 MAPT (0.40) MAPTTP53RAB9ANPC1SMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1210328-A1 FUSED PYRROLECARBOXAMIDES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-06-05 EP claimed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US 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
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
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

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 HRH3 70/4885KDR 2313/4885MAPT 456/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 HRH3 115/4885KDR 3570/4885MAPT 1980/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 HRH3 124/4885KDR 3491/4885MAPT 2027/4885

“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.