SCHEMBL4665859

SCHEMBL4665859

NC(=O)COCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.70
TDP1 Q9NUW8 2/20 0.70
HRH2 P25021 2/20 0.70
HTR2A P28223 2/20 0.70
DRD3 P35462 2/20 0.70
HTR2B P41595 2/20 0.70
KCNH2 Q12809 2/20 0.70
USP2 O75604 2/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
SLC6A3 Q01959 1/20 0.70
TEK Q02763 1/20 0.70
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
GAA P10253 1/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
ABCB11 O95342 1/20 0.59
CHRM2 P08172 1/20 0.59
ADRA2A P08913 1/20 0.59

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
SCHEMBL10931329 0.97 ALDH1A1 (0.69) HRH1TDP1HRH2HTR2ADRD3
Hydrochloric Acid SCHEMBL10929139 0.96 HRH1 (0.68) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL1376101 0.93 HRH1 (0.83) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL3847601 0.93 HRH1 (0.83) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL3847012 0.93 HRH1 (0.83) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL10932202 0.93 HRH1 (0.65) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL2058384 0.91 HRH1 (0.80) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL11122370 0.91 HRH1 (0.63) HRH1TDP1HRH2HTR2ADRD3
Hydrochloric Acid SCHEMBL10931633 0.90 HRH1 (0.64) HRH1TDP1HRH2HTR2ADRD3
Hydrochloric Acid SCHEMBL10930111 0.90 HRH1 (0.80) HRH1TDP1HRH2HTR2ADRD3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469009-B1 MIXTURE CONSISTING ESSENTIALLY OF PSEUDOEPHEDRINE AND COMPOUND SELECTED FROM 2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)-ACETIC ACID OR AMIDE DERIVATIVES, THEIR INDIVIDUAL OPTICAL ISOMERS OR PHARMACEUTICALLY ACCEPTABLE SALTS UCB, S.A. (BE) 2002-10-22 US claimed
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis UCB PHARMA, S.A. (BE) 2001-09-06 US claimed
US-20080206331-A1 TABLET COMPRISING EFLETIRIZINE AND PSEUDOEPHEDRINE UCB, S.A. (BE) 2008-08-28 US disclosed
US-20080177071-A1 Process for the preparation of 2- (2- (4- (bis (4-flourophenyl) methyl) -pipe razin-1-yl) ethoxy acetic acid derivatives or corresponding salt forms thereof and intermediates therefor DIOUF OUSMANE 2008-07-24 US disclosed
US-20040254375-A1 Process for the preparation of 2-(2-(4-(bis(4-fluorophenyl)methyl)-piperazin-1-yl)ethoxy)acetic acid derivatives or corresponding salt forms thereof and intermediates therefor UCB SA (BE) 2004-12-16 US disclosed
EP-1157016-B1 A PROCESS FOR THE PREPARATION OF 2- 2- 4-(DIPHENYLMETHYL)-1-PIPERAZINYL]ETHOXY ACETIC ACID COMPOUNDS OR SALTS THEREOF GEA FARMACEUTISK FABRIK AS (DK) 2003-10-08 EP disclosed
US-6489329-B2 MIXTURE OF PSEUDOEPHEDRINE AND 2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)ACETIC ACID UCB S.A. (BE) 2002-12-03 US disclosed
US-6469009-B1 MIXTURE CONSISTING ESSENTIALLY OF PSEUDOEPHEDRINE AND COMPOUND SELECTED FROM 2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)-ACETIC ACID OR AMIDE DERIVATIVES, THEIR INDIVIDUAL OPTICAL ISOMERS OR PHARMACEUTICALLY ACCEPTABLE SALTS UCB, S.A. (BE) 2002-10-22 US disclosed
EP-1157016-A1 A PROCESS FOR THE PREPARATION OF 2- 2- 4-(DIPHENYLMETHYL)-1-PIPERAZINYL]ETHOXY ACETIC ACID COMPOUNDS OR SALTS THEREOF A/S GEA Farmaceutisk Fabrik (DK) 2001-11-28 EP disclosed
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis UCB PHARMA, S.A. (BE) 2001-09-06 US disclosed
EP-1071461-A1 METHODS AND COMPOSITIONS USING CETIRIZINE IN COMBINATION WITH LEUKOTRIENE INHIBITORS FOR TREATING CONDITIONS RESPONSIVE TO LEUKOTRIENE INHIBITION SEPRACOR, INC. (US) 2001-01-31 EP disclosed
WO-2000052000-A1 A PROCESS FOR THE PREPARATION OF 2-{2-[4-(DIPHENYLMETHYL)-1-PIPERAZINYL]ETHOXY}ACETIC ACID COMPOUNDS OR SALTS THEREOF A/S GEA FARMACEUTISK FABRIK (DK) 2000-09-08 WO disclosed
WO-1999052553-A1 METHODS AND COMPOSITIONS USING CETIRIZINE IN COMBINATION WITH LEUKOTRIENE INHIBITORS FOR TREATING CONDITIONS RESPONSIVE TO LEUKOTRIENE INHIBITION SEPRACOR INC. (US) 1999-10-21 WO disclosed
US-4525358-A ANTIHISTAMINES, ANTIALLERGENS, ANTISPASMODICS, BRONCHODILATORS UCB PHARMACEUTICALS, INC. (US) 1985-06-25 US disclosed
EP-0058146-B1 2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)-ACETIC ACIDS AND THEIR AMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS U C B, S.A. (BE) 1984-06-27 EP disclosed
EP-0058146-A1 2-(4-(Diphenylmethyl)-1-piperazinyl)-acetic acids and their amides, process for their preparation and pharmaceutical compositions U C B, S.A. (BE) 1982-08-18 EP 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 (4 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-20080206331-A1 TABLET COMPRISING EFLETIRIZINE AND PSEUDOEPHEDRINE HRH4, HRH1, HRH2 HRH1 2/4885TDP1 2771/4885HRH2 3/4885
US-20080177071-A1 Process for the preparation of 2- (2- (4- (bis (4-flourophenyl) methyl) -pipe razin-1-yl) ethoxy acetic acid derivatives or corresponding salt forms thereof and intermediates therefor FAR1, FFAR2, FFAR1 HRH1 314/4885TDP1 3745/4885HRH2 437/4885
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis HRH4, HRH2, HRH1 HRH1 3/4885TDP1 4206/4885HRH2 2/4885
US-20040254375-A1 Process for the preparation of 2-(2-(4-(bis(4-fluorophenyl)methyl)-piperazin-1-yl)ethoxy)acetic acid derivatives or corresponding salt forms thereof and intermediates therefor CYP4F11, CYP4Z1, NR5A1 HRH1 51/4885TDP1 1739/4885HRH2 201/4885

“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.