SCHEMBL6092912

SCHEMBL6092912

O=C(Nc1cccc(OCCCNCC2CC2)c1)c1c[nH]c2c1C(=O)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.38
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
MAPT P10636 2/20 0.36
MET P08581 4/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL6094466 0.96 ALDH1A1 (0.40) MAOBALDH1A1LMNATP53THRB
SCHEMBL6094240 0.90 MAOB (0.45) MAOBALDH1A1LMNATP53THRB
SCHEMBL6093282 0.89 TP53 (0.38) LMNATP53MAPTNPC1RAB9A
SCHEMBL6093361 0.89 ALDH1A1 (0.42) MAOBALDH1A1LMNATP53THRB
SCHEMBL6092881 0.89 THRB (0.45) MAOBALDH1A1LMNATP53THRB
SCHEMBL6094170 0.88 ALDH1A1 (0.37) MAOBALDH1A1LMNATP53THRB
SCHEMBL6092794 0.88 THRB (0.47) MAOBALDH1A1LMNATP53THRB
SCHEMBL6095543 0.88 THRB (0.47) MAOBALDH1A1LMNATP53THRB
SCHEMBL6093470 0.88 ALDH1A1 (0.44) MAOBALDH1A1LMNATP53THRB
SCHEMBL6095650 0.88 LMNA (0.44) MAOBALDH1A1LMNATP53THRB

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 9 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-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 MAOB 290/4885ALDH1A1 2117/4885LMNA 1133/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MAOB 477/4885ALDH1A1 2009/4885LMNA 3196/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MAOB 483/4885ALDH1A1 1833/4885LMNA 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.