SCHEMBL5384783

SCHEMBL5384783

NCC(c1noc(=O)[nH]1)C1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
DDAH1 O94760 1/20 0.32
CTH P32929 1/20 0.31
TP53 P04637 1/20 0.31
NEK1 Q96PY6 1/20 0.31
MDM2 Q00987 1/20 0.30
PNP P00491 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5391315 0.98 EPHX1 (0.35) EPHX1DDAH1CTHTP53NEK1
Hydrochloric Acid SCHEMBL5389051 0.98 KDM4E (0.33) EPHX1DDAH1CTHTP53NEK1
SCHEMBL119958 0.98 EPHX1 (0.35) EPHX1DDAH1CTHTP53NEK1
Hydrochloric Acid SCHEMBL5387672 0.97 KDM4E (0.35) EPHX1DDAH1TP53MDM2PNP
Hydrochloric Acid SCHEMBL5392336 0.97 KDM4E (0.35) EPHX1DDAH1TP53MDM2PNP
SCHEMBL6900479 0.82 DDAH1 (0.33) DDAH1CTH
SCHEMBL7424718 0.82 DDAH1 (0.33) DDAH1CTH
SCHEMBL6885068 0.82 DDAH1 (0.33) DDAH1CTH
SCHEMBL7177530 0.81 DDAH1 (0.31) DDAH1CTH
SCHEMBL5387052 0.81 CACNB3 (0.34) DDAH1CTH

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603890-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED &bgr;-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP claimed
US-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives BARTA NANCY SUE (US) 2005-01-20 US claimed
EP-1475371-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (= GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Warner-Lambert Company LLC (US) 2004-11-10 EP claimed
WO-2004078734-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED β-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-09-16 WO claimed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US claimed
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder DOOLEY DAVID JAMES (US) 2004-01-08 US claimed
US-20030203945-A1 Heterocyclic derivatives useful as pharmaceutical agents BLAKEMORE DAVID CLIVE (GB) 2003-10-30 US claimed
US-6518289-B1 Especially irritable bowel syndrome PFIZER, INC. 2003-02-11 US claimed
US-20020077342-A1 Heterocyclic derivatives useful as pharmaceutical agents WARNER-LAMBERT COMPANY 2002-06-20 US claimed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US claimed
WO-2002036118-A2 HETEROCYCLIC DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 WO claimed
EP-1201240-A2 Heterocyclic derivatives useful as pharmaceutical agents WARNER-LAMBERT COMPANY (US) 2002-05-02 EP claimed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP claimed
JP-2002508362-A 2002-03-19 JP claimed
EP-1047678-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Warner-Lambert Company LLC (US) 2000-11-02 EP claimed
WO-1999031075-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 WO claimed
US-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY (US) 2007-12-20 US disclosed
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2007-11-29 US disclosed
EP-1047678-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Warner-Lambert Company LLC (US) 2000-11-02 EP disclosed
WO-1999031075-A1 1-SUBSTITUTED-1-AMINOMETHYL-CYCLOALKANE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 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 (8 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-20070293570-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 EPHX1 2139/4885DDAH1 632/4885CTH 2169/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 EPHX1 2819/4885DDAH1 2801/4885CTH 254/4885
US-20070276039-A1 PHARMACEUTICAL USES FOR ALPHA2DELTA LIGANDS ADRA2A, ADRA1D, OPRD1 EPHX1 2139/4885DDAH1 632/4885CTH 2169/4885
US-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives GLRA2, CACNG5, GLRB EPHX1 2214/4885DDAH1 1460/4885CTH 2144/4885
US-20020077342-A1 Heterocyclic derivatives useful as pharmaceutical agents CNR1, SUCNR1, CACNA1A EPHX1 236/4885DDAH1 2439/4885CTH 2630/4885
US-20030203945-A1 Heterocyclic derivatives useful as pharmaceutical agents CNR1, SUCNR1, CACNA1A EPHX1 236/4885DDAH1 2439/4885CTH 2630/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 EPHX1 2819/4885DDAH1 2801/4885CTH 254/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 EPHX1 1595/4885DDAH1 496/4885CTH 1165/4885

“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.