SCHEMBL6093161

SCHEMBL6093161

CCC(C)CNCCCOc1cccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MET P08581 4/20 0.41
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
NR1H4 Q96RI1 4/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 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
SCHEMBL6093999 0.93 MAOB (0.43) MAOBMETTHRBLMNATP53
SCHEMBL6094270 0.90 TP53 (0.40) METLMNATP53KDM4ERAB9A
SCHEMBL6094240 0.90 MAOB (0.45) MAOBMETTHRBLMNATP53
SCHEMBL6092881 0.89 THRB (0.45) MAOBMETTHRBLMNATP53
SCHEMBL6095687 0.89 MAOB (0.42) MAOBMETTHRBLMNATP53
SCHEMBL6092362 0.89 MAOB (0.42) MAOBMETTHRBLMNATP53
SCHEMBL6094440 0.88 MAOB (0.40) MAOBTHRBLMNATP53ALDH1A1
SCHEMBL6095543 0.88 THRB (0.47) MAOBMETTHRBLMNATP53
SCHEMBL6092794 0.88 THRB (0.47) MAOBMETTHRBLMNATP53
SCHEMBL6092202 0.88 ALDH1A1 (0.42) MAOBMETTHRBLMNATP53

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 290/4885MET 4295/4885THRB 426/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MAOB 477/4885MET 3730/4885THRB 221/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MAOB 483/4885MET 3529/4885THRB 221/4885

“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.