SCHEMBL2058840

SCHEMBL2058840

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

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.86
TDP1 Q9NUW8 2/20 0.86
HRH2 P25021 2/20 0.86
HTR2A P28223 2/20 0.86
DRD3 P35462 2/20 0.86
HTR2B P41595 2/20 0.86
KCNH2 Q12809 2/20 0.86
USP2 O75604 2/20 0.86
SLC6A2 P23975 1/20 0.86
SLC6A4 P31645 1/20 0.86
SLC6A3 Q01959 1/20 0.86
TEK Q02763 1/20 0.86
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.67
MAPK1 P28482 1/20 0.67
NPC1 O15118 1/20 0.65
ABCB11 O95342 1/20 0.62
CHRM2 P08172 1/20 0.62

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
SCHEMBL2058530 0.97 HRH1 (0.82) HRH1TDP1HRH2HTR2ADRD3
Hydrochloric Acid SCHEMBL10934197 0.96 HRH1 (0.82) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL19390112 0.93 HRH1 (0.79) HRH1TDP1HRH2HTR2ADRD3
Cetirizine SCHEMBL2455487 0.93 DRD3 (1.00) HRH1TDP1HRH2HTR2ADRD3
Cetirizine SCHEMBL4176 0.93 DRD3 (1.00) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL24022700 0.93 HRH1 (0.79) HRH1TDP1HRH2HTR2ADRD3
Levocetirizine SCHEMBL5935097 0.93 DRD3 (1.00) HRH1TDP1HRH2HTR2ADRD3
Levocetirizine SCHEMBL4914 0.93 DRD3 (1.00) HRH1TDP1HRH2HTR2ADRD3
Cetirizine SCHEMBL13724610 0.93 DRD3 (1.00) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL2058738 0.93 HRH1 (0.79) 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 claimed
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis UCB PHARMA, S.A. (BE) 2001-09-06 US claimed
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 claimed
US-4525358-A ANTIHISTAMINES, ANTIALLERGENS, ANTISPASMODICS, BRONCHODILATORS UCB PHARMACEUTICALS, INC. (US) 1985-06-25 US claimed
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 claimed
US-8350031-B2 Processes for the synthesis of levocetirizine and intermediates for use therein CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-8350031-B2 Processes for the synthesis of levocetirizine and intermediates for use therein CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-20110230496-A1 NOVEL PROCESS FOR PREPARING HIGHLY PURE LEVOCETIRIZINE AND SALTS THEREOF CHEMAGIS LTD. (IL) 2011-09-22 US disclosed
US-20110230496-A1 NOVEL PROCESS FOR PREPARING HIGHLY PURE LEVOCETIRIZINE AND SALTS THEREOF CHEMAGIS LTD. (IL) 2011-09-22 US disclosed
US-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CIPLA LIMITED (IN) 2011-07-28 US disclosed
US-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CIPLA LIMITED (IN) 2011-07-28 US disclosed
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis UCB PHARMA, S.A. (BE) 2001-09-06 US 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-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-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
US-5538973-A ANTIHISTAMINE, THROMBOXANE A2 ANTAGONIST KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-23 US disclosed
EP-0597112-A1 NOVEL IMIDAZOLE DERIVATIVE, PHARMACEUTICAL USE THEREOF, AND INTERMEDIATE THEREFOR Kyoto Pharmaceutical Industries, Ltd. (JP) 1994-05-18 EP disclosed
US-4525358-A ANTIHISTAMINES, ANTIALLERGENS, ANTISPASMODICS, BRONCHODILATORS UCB PHARMACEUTICALS, INC. (US) 1985-06-25 US 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-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CYP3A5, CYP4A11, IL5 HRH1 82/4885TDP1 3275/4885HRH2 148/4885
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis HRH4, HRH2, HRH1 HRH1 3/4885TDP1 4206/4885HRH2 2/4885
US-20110230496-A1 NOVEL PROCESS FOR PREPARING HIGHLY PURE LEVOCETIRIZINE AND SALTS THEREOF CYP51A1, TSLP, NR5A1 HRH1 33/4885TDP1 2831/4885HRH2 257/4885

“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.