SCHEMBL6093090

SCHEMBL6093090

CCN(CC)CCOc1cccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KDR P35968 4/20 0.43
CHEK1 O14757 3/20 0.42
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
MAOB P27338 1/20 0.40
CDK2AP1 O14519 3/20 0.40
MCHR1 Q99705 2/20 0.39
ALK Q9UM73 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
AURKA O14965 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL6397671 0.94 LMNA (0.46) LMNAKDRTHRBTP53BRD4
SCHEMBL6094904 0.90 KDM1A (0.46) LMNAKDRTHRBTP53BRD4
SCHEMBL6094557 0.89 LMNA (0.44) LMNAKDRTHRBTP53BRD4
SCHEMBL6094530 0.89 MCHR1 (0.42) LMNATHRBTP53MCHR1NR1H4
SCHEMBL7367184 0.86 BRD4 (0.48) LMNATHRBTP53BRD4CREBBP
SCHEMBL6093368 0.86 LMNA (0.45) LMNATHRBTP53BRD4CREBBP
SCHEMBL6094240 0.86 MAOB (0.45) LMNATHRBTP53BRD4CREBBP
SCHEMBL6095650 0.85 LMNA (0.44) LMNATHRBTP53MAOBNR1H4
SCHEMBL6092881 0.85 THRB (0.45) LMNATHRBTP53BRD4CREBBP
SCHEMBL6095781 0.84 THRB (0.42) LMNATHRBTP53BRD4CREBBP

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 LMNA 1133/4885KDR 2313/4885CHEK1 4430/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 LMNA 3196/4885KDR 3570/4885CHEK1 4534/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 LMNA 3033/4885KDR 3491/4885CHEK1 4484/4885

“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.