SCHEMBL6094007

SCHEMBL6094007

O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.51
MAPT P10636 4/20 0.50
TP53 P04637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.48
FKBP1A P62942 3/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL6093476 0.86 KMT2A (0.49) KMT2ANPC1RAB9AMAPTTP53
SCHEMBL5734635 0.81 TP53 (0.41) KMT2ANPC1RAB9AMAPTTP53
SCHEMBL7392174 0.80 TP53 (0.52) KMT2ANPC1RAB9AMAPTTP53
SCHEMBL5735674 0.80 MAPT (0.43) KMT2ANPC1RAB9AMAPTTP53
SCHEMBL6092586 0.79 HRH3 (0.50) MAPTTP53LMNA
SCHEMBL7363009 0.78 TP53 (0.55) KMT2ANPC1RAB9AMAPTTP53
SCHEMBL6093068 0.78 MAPT (0.42) NPC1RAB9AMAPTTP53ALDH1A1
SCHEMBL6092697 0.77 MAPT (0.41) KMT2ANPC1RAB9AMAPTTP53
SCHEMBL4899666 0.77 MAPT (0.50) KMT2ANPC1RAB9AMAPTTP53
SCHEMBL6095405 0.76 HRH3 (0.47) NPC1RAB9AMAPTTP53ALDH1A1

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-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-6211365-B1 BRAIN DISORDERS NEUROGEN CORPORATION 2001-04-03 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 KMT2A 1847/4885NPC1 1693/4885RAB9A 3322/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KMT2A 1807/4885NPC1 2021/4885RAB9A 1401/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KMT2A 1954/4885NPC1 1723/4885RAB9A 1463/4885

“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.