SCHEMBL6401502

SCHEMBL6401502

CC(C)NCCCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TP53 P04637 2/20 0.42
HRH3 Q9Y5N1 5/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB2 P07550 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 2/20 0.37
RECQL P46063 1/20 0.37
EPHX2 P34913 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 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
SCHEMBL6096171 0.98 MAPT (0.43) MAPTTP53HRH3KDM4EALDH1A1
SCHEMBL6093271 0.97 TP53 (0.42) MAPTTP53HRH3KDM4EALDH1A1
SCHEMBL6094483 0.95 TP53 (0.40) MAPTTP53HRH3KDM4EALDH1A1
SCHEMBL6094308 0.90 TP53 (0.40) MAPTTP53KDM4EADRB2SMN1; SMN2
SCHEMBL6092202 0.89 ALDH1A1 (0.42) MAPTTP53KDM4EALDH1A1ADRB2
SCHEMBL6092676 0.89 EPHX2 (0.41) MAPTTP53KDM4ESMN1; SMN2NPC1
SCHEMBL7402022 0.89 SIGMAR1 (0.44) MAPTTP53KDM4EALDH1A1TDP1
SCHEMBL6093280 0.89 TP53 (0.43) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL6093893 0.88 MAPT (0.40) MAPTTP53KDM4EADRB2SMN1; SMN2
SCHEMBL6094270 0.87 TP53 (0.40) MAPTTP53KDM4EADRB2SMN1; SMN2

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-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-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 MAPT 456/4885TP53 4107/4885HRH3 70/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MAPT 1980/4885TP53 4841/4885HRH3 115/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MAPT 2027/4885TP53 4832/4885HRH3 124/4885

“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.