SCHEMBL6094530

SCHEMBL6094530

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.39
HTR2C P28335 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MET P08581 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 0.89 LMNA (0.45) MCHR1LMNATP53THRBNR1H4
SCHEMBL6094557 0.88 LMNA (0.44) LMNATP53THRB
SCHEMBL6397671 0.88 LMNA (0.46) LMNATP53THRBNR1H4MET
SCHEMBL6095646 0.87 MCHR1 (0.50) MCHR1LMNATP53HTR2C
SCHEMBL6092202 0.87 ALDH1A1 (0.42) LMNATP53THRBNR1H4MET
SCHEMBL6094904 0.85 KDM1A (0.46) LMNATP53THRBNR1H4MET
SCHEMBL6095650 0.85 LMNA (0.44) LMNATP53THRBNR1H4MET
SCHEMBL6092894 0.84 TP53 (0.40) LMNATP53THRBNR1H4MET
SCHEMBL6093999 0.84 MAOB (0.43) LMNATP53THRBNR1H4MET
SCHEMBL6095687 0.84 MAOB (0.42) LMNATP53THRBNR1H4MET

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 MCHR1 200/4885LMNA 1133/4885TP53 4107/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MCHR1 108/4885LMNA 3196/4885TP53 4841/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MCHR1 97/4885LMNA 3033/4885TP53 4832/4885

“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.