SCHEMBL6095646

SCHEMBL6095646

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.50
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL6095405 0.89 HRH3 (0.47) MCHR1TP53MAPTNPC1LMNA
SCHEMBL6094530 0.87 MCHR1 (0.42) MCHR1TP53LMNAHTR2C
SCHEMBL5735674 0.87 MAPT (0.43) TP53MAPTNPC1LMNAGAA
SCHEMBL6094483 0.87 TP53 (0.40) TP53MAPTNPC1LMNAGAA
SCHEMBL6096171 0.86 MAPT (0.43) TP53MAPTNPC1LMNAGAA
SCHEMBL6094108 0.85 MAPT (0.39) MCHR1TP53MAPTNPC1LMNA
SCHEMBL5734635 0.85 TP53 (0.41) TP53MAPTNPC1LMNAGAA
SCHEMBL6093271 0.85 TP53 (0.42) TP53MAPTNPC1LMNAGAA
SCHEMBL6092697 0.84 MAPT (0.41) TP53MAPTNPC1LMNAGAA
SCHEMBL6101009 0.84 TP53 (0.39) TP53MAPTNPC1LMNAGAA

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 MCHR1 200/4885ESR1 396/4885ESR2 627/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MCHR1 108/4885ESR1 1374/4885ESR2 1299/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MCHR1 97/4885ESR1 1233/4885ESR2 1265/4885

“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.