SCHEMBL6093868

SCHEMBL6093868

CCN(CC)CCN(C)C(=O)COc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.40
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MCHR1 Q99705 2/20 0.37
KDR P35968 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 2/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 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
SCHEMBL6094949 0.91 TP53 (0.40) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6093901 0.85 KMT2A (0.45) TP53MAPTMCHR1KMT2AKDM4E
SCHEMBL7392174 0.84 TP53 (0.52) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6096109 0.84 TP53 (0.39) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7363009 0.82 TP53 (0.55) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6093303 0.82 HRH3 (0.37) TP53MAPTSMN1; SMN2MCHR1KDR
SCHEMBL6095405 0.82 HRH3 (0.47) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6094417 0.80 CYP1A2 (0.42) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5735674 0.79 MAPT (0.43) TP53NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6094108 0.78 MAPT (0.39) TP53NPC1RAB9AMAPTSMN1; 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 14 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-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-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 TP53 4107/4885NPC1 1693/4885RAB9A 3322/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 TP53 4841/4885NPC1 2021/4885RAB9A 1401/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 TP53 4832/4885NPC1 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.