SCHEMBL106439

SCHEMBL106439

[c]1cccc2c1CCOO2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL103524 0.79
SCHEMBL323509 0.79
SCHEMBL130778 0.72 ITGB2 (0.39) ITGB2ICAM1ITGAL
SCHEMBL9466531 0.68
SCHEMBL4753114 0.67
SCHEMBL4753165 0.67
SCHEMBL29788642 0.66 MAOA (0.41) ITGB2ICAM1ITGAL
SCHEMBL895328 0.66 MAOA (0.41) ITGB2ICAM1ITGAL
SCHEMBL29788643 0.66 MAOA (0.41) ITGB2ICAM1ITGAL
SCHEMBL107468 0.66 MAOA (0.41) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483255-B1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES WYETH CORP (US) 2009-08-12 EP claimed
US-7256289-B2 Process for making chiral 1,4-disubstituted piperazines WYETH (US) 2007-08-14 US claimed
US-7091349-B2 Process for synthesizing N-aryl piperazines with chiral N′-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH (US) 2006-08-15 US claimed
US-7019137-B2 Process for making chiral 1,4-disubstituted piperazines WYETH (US) 2006-03-28 US claimed
US-20050228181-A1 Process for making chiral 1,4-disubstituted piperazines WYETH (US) 2005-10-13 US claimed
EP-1483256-A2 PROCESS FOR MAKING CHIRAL 1,4-DISUBSTITUTED PIPERAZINES Wyeth (US) 2004-12-08 EP claimed
EP-1483255-A1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES Wyeth, A Corporation of the State of Delaware (US) 2004-12-08 EP claimed
US-20040230056-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH 2004-11-18 US claimed
US-6756370-B1 POTENT 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2004-06-29 US claimed
US-6713626-B2 Process for synthesizing N-aryl piperazines with chiral N′-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH 2004-03-30 US claimed
WO-2003078417-A1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES WYETH, A CORPORATION OF THE STATE OF DELAWARE (US) 2003-09-25 WO claimed
WO-2003078420-A2 PROCESS FOR MAKING CHIRAL 1,4-DISUBSTITUTED PIPERAZINES WYETH (US) 2003-09-25 WO claimed
US-6344458-B1 CENTRAL NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2002-02-05 US claimed
EP-1140838-A1 1, 4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP claimed
EP-1140882-A1 PIPERAZINE ETHYLAMIDE DERIVATIVES WITH 5-HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP claimed
US-20010014680-A1 1,4-piperazine derivatives WYETH 2001-08-16 US claimed
US-6255302-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US claimed
WO-2000035892-A1 PIPERAZINE ETHYLAMIDE DERIVATIVES WITH 5-HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 WO claimed
WO-2000035878-A1 1,4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 WO claimed
US-5693642-A ANXIOLYTIC AND HYPOTENSIVE AGENTS; ANTIDEPRESSANTS; PSYCHOLOGICAL DISORDERS; CONTROLLERS OF SLEEP/WAKE CYCLE, EATING AND SEXUAL DISORDERS JOHN WYETH & BROTHER LTD. (GB) 1997-12-02 US claimed

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-20040230056-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution TPH1, HTR1B, HTR1A ITGB2 1128/4885ICAM1 2829/4885ITGAL 1818/4885
US-20010014680-A1 1,4-piperazine derivatives ADH1A, ADH1C, SNCA ITGB2 2245/4885ICAM1 899/4885ITGAL 3087/4885
US-20050228181-A1 Process for making chiral 1,4-disubstituted piperazines HTR5A, HTR1A, HTR1D ITGB2 2298/4885ICAM1 2401/4885ITGAL 2218/4885

“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.