SCHEMBL6094904

SCHEMBL6094904

CCN(C)CCCOc1cccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.42
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.39
NR1H4 Q96RI1 4/20 0.38
NR3C1 P04150 1/20 0.38
MET P08581 3/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
MAPK14 Q16539 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL6093090 0.90 LMNA (0.45) MAOBLMNATHRBTP53NR1H4
SCHEMBL6094557 0.88 LMNA (0.44) KDM1AMAOBLMNATHRBTP53
SCHEMBL6397671 0.87 LMNA (0.46) KDM1AMAOBLMNATHRBTP53
SCHEMBL6094240 0.86 MAOB (0.45) MAOBLMNATHRBTP53NR1H4
SCHEMBL6095650 0.86 LMNA (0.44) MAOBLMNATHRBTP53RXFP1
SCHEMBL6092881 0.85 THRB (0.45) MAOBLMNATHRBTP53NR1H4
SCHEMBL6094530 0.85 MCHR1 (0.42) LMNATHRBTP53NR1H4MET
SCHEMBL6095781 0.85 THRB (0.42) KDM1AMAOBLMNATHRBTP53
SCHEMBL6092794 0.84 THRB (0.47) MAOBLMNATHRBTP53NR1H4
SCHEMBL6095543 0.84 THRB (0.47) MAOBLMNATHRBTP53NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 KDM1A 828/4885MAOB 290/4885LMNA 1133/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KDM1A 1488/4885MAOB 477/4885LMNA 3196/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KDM1A 1446/4885MAOB 483/4885LMNA 3033/4885

“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.