SCHEMBL588188

SCHEMBL588188

NCC(c1nnn[nH]1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4992531 1.00 EPHX1 (0.39) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL5642596 0.98 EPHX1 (0.36) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL5195552 0.77 AAK1 (0.31) EPHX1
SCHEMBL5195544 0.77 AAK1 (0.31) EPHX1
SCHEMBL6356694 0.76
SCHEMBL5642181 0.73
SCHEMBL5643344 0.69
SCHEMBL27306903 0.68 EPHX1 (0.31) EPHX1
SCHEMBL5397569 0.68 TP53 (0.37) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL119958 0.68 EPHX1 (0.35) EPHX1TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125021-B8 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH ALPHA 2DELTA LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2012-02-15 EP claimed
EP-2125021-B1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2011-06-08 EP claimed
EP-2125021-A1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS Recordati Ireland Limited (IE) 2009-12-02 EP claimed
WO-2008077599-A1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH α2δ LIGANDS AND NSAIDS RECORDATI IRELAND LIMITED (IE) 2008-07-03 WO claimed
US-20080153888-A1 ALPHA-2-DELTA LIGAND/NSAID THERAPEUTIC TREATMENT OF LOWER URINARY TRACT DISORDERS RECORDATI IRELAND LIMITED (IE) 2008-06-26 US claimed
US-7250433-B2 Tetrazole and oxadiazolone substituted β-amino acid derivatives WARNER LAMBERT COMPANY LLC (US) 2007-07-31 US claimed
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
WO-2004078734-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED β-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-09-16 WO claimed
EP-2125021-B8 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH ALPHA 2DELTA LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2012-02-15 EP disclosed
EP-2125021-B1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2011-06-08 EP disclosed
EP-2125021-A1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS Recordati Ireland Limited (IE) 2009-12-02 EP disclosed
WO-2008077599-A1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH α2δ LIGANDS AND NSAIDS RECORDATI IRELAND LIMITED (IE) 2008-07-03 WO disclosed
US-20080153888-A1 ALPHA-2-DELTA LIGAND/NSAID THERAPEUTIC TREATMENT OF LOWER URINARY TRACT DISORDERS RECORDATI IRELAND LIMITED (IE) 2008-06-26 US disclosed
US-7250433-B2 Tetrazole and oxadiazolone substituted β-amino acid derivatives WARNER LAMBERT COMPANY LLC (US) 2007-07-31 US disclosed
US-7250433-B2 Tetrazole and oxadiazolone substituted β-amino acid derivatives WARNER LAMBERT COMPANY LLC (US) 2007-07-31 US disclosed
EP-1603890-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED &bgr;-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP disclosed
US-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives BARTA NANCY SUE (US) 2005-01-20 US disclosed
WO-2004078734-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED β-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-09-16 WO disclosed
WO-2004078734-A1 TETRAZOLE AND OXADIAZOLONE SUBSTITUTED β-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-09-16 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 (1 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-20050014804-A1 Tetrazole and oxadiazolone substituted beta-amino acid derivatives GLRA2, CACNG5, GLRB EPHX1 2214/4885TP53 4457/4885KDM4E 2993/4885

“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.