SCHEMBL6094372

SCHEMBL6094372

O=C(Nc1ccc(OCCCNC2CCCC2)cc1)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 7/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
XDH P47989 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 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
SCHEMBL6092464 0.97 KDM4E (0.46) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6095816 0.96 KDM4E (0.47) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6093431 0.95 KDM4E (0.43) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6093102 0.94 KDM4E (0.41) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6095735 0.93 KDM4E (0.39) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL8258281 0.91 SMN1; SMN2 (0.41) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6094238 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6095972 0.87 MAPT (0.39) KDM4ESMN1; SMN2MAPTTP53HPGD
SCHEMBL6095017 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL6093281 0.86 TP53 (0.38) SMN1; SMN2MAPTTP53HTTLMNA

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 ALDH1A1 2117/4885KDM4E 835/4885KMT2A 1847/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 ALDH1A1 2009/4885KDM4E 1753/4885KMT2A 1807/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 ALDH1A1 1833/4885KDM4E 1895/4885KMT2A 1954/4885

“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.