Sugi Predict

Sugi Predict / Compounds / SCHEMBL6092676

SCHEMBL6092676

SCHEMBL6092676

CC(C)CCNCCCOc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 6/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HTT P42858 3/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL6094308 0.92 TP53 (0.40) EPHX2TP53MAPTSMN1; SMN2NPC1
SCHEMBL6093893 0.90 MAPT (0.40) EPHX2TP53MAPTSMN1; SMN2NPC1
SCHEMBL6095687 0.90 MAOB (0.42) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6105353 0.89 MAPT (0.44) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6094153 0.89 MAPT (0.44) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6093280 0.89 TP53 (0.43) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6401502 0.89 MAPT (0.42) EPHX2TP53MAPTSMN1; SMN2NPC1
SCHEMBL6093271 0.88 TP53 (0.42) EPHX2TP53MAPTSMN1; SMN2NPC1
SCHEMBL6094270 0.88 TP53 (0.40) EPHX2TP53MAPTSMN1; SMN2NPC1
SCHEMBL6095790 0.87 MAPT (0.46) TP53MAPTSMN1; SMN2NPC1RAB9A

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 7 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-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 (2 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-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 EPHX2 1028/4885TP53 4841/4885MAPT 1980/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 EPHX2 1160/4885TP53 4832/4885MAPT 2027/4885

“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.