SCHEMBL5735672

SCHEMBL5735672

COC(C)Oc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
PNLIP P16233 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP7 Q9BQF6 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
SCHEMBL7367658 0.92 PNLIP (0.46) MAPTPNLIPROCK2ROCK1ALDH1A1
SCHEMBL5734631 0.90 PNLIP (0.39) MAPTPNLIPROCK2ROCK1KDR
SCHEMBL4899666 0.88 MAPT (0.50) MAPTPNLIPKDRALDH1A1ALOX15
SCHEMBL7398647 0.85 MAPT (0.53) MAPTPNLIPKDRALDH1A1ALOX15
SCHEMBL5735674 0.84 MAPT (0.43) MAPTROCK2ROCK1KDRALDH1A1
SCHEMBL7392174 0.83 TP53 (0.52) MAPTALDH1A1HSD17B10ALOX15KMT2A
SCHEMBL6092571 0.83 POLB (0.34) MAPTPNLIPROCK2ROCK1ALDH1A1
SCHEMBL7391242 0.82 HTT (0.45) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL6105450 0.82 MAPT (0.41) MAPTROCK2ROCK1KDRALDH1A1
SCHEMBL7397449 0.82 MAPT (0.47) MAPTROCK2ROCK1ALDH1A1KMT2A

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 15 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
EP-1019372-B1 FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2006-04-05 EP 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
EP-1210328-A1 FUSED PYRROLECARBOXAMIDES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-06-05 EP 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
WO-2001016103-A1 FUSED PYRROLECARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2001-03-08 WO disclosed
EP-1019372-A1 NOVEL FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-07-19 EP disclosed
US-6080873-A Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 2000-06-27 US disclosed
US-5804686-A GAMMA-AMINOBUTYRIC ACID; AGONISTS, ANTAGONISTS, OR INVERSE AGONISTS NEUROGEN CORPORATION (US) 1998-09-08 US disclosed
WO-1997026243-A1 NOVEL FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1997-07-24 WO 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 456/4885PNLIP 3767/4885ROCK2 4601/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MAPT 1980/4885PNLIP 4412/4885ROCK2 4106/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 MAPT 2027/4885PNLIP 4397/4885ROCK2 4104/4885

“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.