SCHEMBL1405261

SCHEMBL1405261

OCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.76
HRH1 P35367 4/20 0.76
KCNH2 Q12809 4/20 0.76
CHRM2 P08172 3/20 0.76
ADRA2A P08913 3/20 0.76
ADRA1A P35348 3/20 0.76
USP2 O75604 3/20 0.76
CYP2D6 P10635 3/20 0.76
HRH2 P25021 2/20 0.76
HTR2A P28223 2/20 0.76
HTR2B P41595 2/20 0.76
DRD2 P14416 2/20 0.76
ABCB11 O95342 1/20 0.76
ADRA2B P18089 1/20 0.76
ADRA2C P18825 1/20 0.76
DRD4 P21917 1/20 0.76
HTR7 P34969 1/20 0.76
OPRK1 P41145 1/20 0.76
HTR5A P47898 1/20 0.76
HTR6 P50406 1/20 0.76

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
SCHEMBL13845055 1.00 DRD3 (0.76) DRD3HRH1KCNH2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL5113093 0.99 DRD3 (0.74) DRD3HRH1KCNH2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL6475984 0.97 DRD3 (0.73) DRD3HRH1KCNH2CHRM2ADRA2A
SCHEMBL7282583 0.94 HRH1 (0.67) DRD3HRH1KCNH2CHRM2ADRA2A
SCHEMBL1491229 0.91 OPRD1 (0.65) DRD3HRH1KCNH2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL27914610 0.89 OPRD1 (0.64) DRD3HRH1KCNH2CHRM2ADRA2A
SCHEMBL7670965 0.88 DRD3 (0.72) DRD3HRH1KCNH2CHRM2ADRA2A
SCHEMBL29175114 0.88 HRH1 (0.67) DRD3HRH1KCNH2CHRM2ADRA2A
SCHEMBL29175113 0.88 HRH1 (0.67) DRD3HRH1KCNH2CHRM2ADRA2A
Hydroxyzine SCHEMBL383277 0.87 DRD3 (1.00) DRD3HRH1KCNH2CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012175642-A1 PEPTIDE PRODRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-12-27 WO claimed
US-20110172425-A1 NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES CALYX CHEMICALS AND PHARMACEUTICALS PVT. LTD. (IN) 2011-07-14 US claimed
WO-2010046908-A2 NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES CALYX CHEMICALS AND PHARMACEUTICALS PVT. LTD. (IN) 2010-04-29 WO claimed
US-20090030205-A1 Process for obtaining cetirizine dihydrochloride COSMA S.P.A. 2009-01-29 US claimed
EP-2019096-A1 Process for obtaining Cetirizine dihydrochloride Cosma S.p.A. (IT) 2009-01-28 EP claimed
US-20060258684-A1 2-[2-[4-[(4-chlorophenyl) phenylmethyl]-1-piperazinyl]ethoxy]acetic acid monohydrochloride as anti-allergenic compound and process for its production WOCKHARDT LIMITED (IN) 2006-11-16 US claimed
EP-1628964-A1 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL] -1-PIPERAZINYL] ETHOXY] ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION Wockhardt Limited (IN) 2006-03-01 EP claimed
WO-2004103982-A1 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL]-1-PIPERAZINYL]ETHOXY]ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION WOCKHARDT LIMITED (US) 2004-12-02 WO claimed
EP-1233954-B1 A PROCESS FOR THE PREPARATION OF 2- 4-(ALPHA-PHENYL-P-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2004-10-20 EP claimed
US-20030092911-A1 Hydrolysis in presence of phase transfer agents; antiallergens EGIS GYOGYSZERGYAR RT. (HU) 2003-05-15 US claimed
EP-1233954-A1 A PROCESS FOR THE PREPARATION OF 2- 4-(ALPHA-PHENYL-P-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGIS GYOGYSZERGYAR RT. (HU) 2002-08-28 EP claimed
WO-2001040211-A1 A PROCESS FOR THE PREPARATION OF {2-[4-(α-PHENYL-p-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY}ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGIS Gyógyszergyár Rt. (HU) 2001-06-07 WO claimed
EP-2731594-B1 CAPSULE FORMULATION COMPRISING MONTELUKAST AND LEVOCETIRIZINE HANMI PHARM IND CO LTD (KR) 2019-04-24 EP disclosed
US-9801876-B2 Complex granule formulation having improved stability comprising levocetirizine and montelukast HANMI PHARM. CO., LTD (KR) 2017-10-31 US disclosed
US-9801876-B2 Complex granule formulation having improved stability comprising levocetirizine and montelukast HANMI PHARM. CO., LTD (KR) 2017-10-31 US disclosed
US-20160367551-A1 COMPLEX GRANULE FORMULATION HAVING IMPROVED STABILITY COMPRISING LEVOCETIRIZINE AND MONTELUKAST HANMI PHARM. CO., LTD (KR) 2016-12-22 US disclosed
WO-2001029016-A1 PROCESS FOR PREPARING PIPERAZINE-SUBSTITUTED ALIPHATIC CARBOXYLATES SALSBURY CHEMICALS, INC. (US) 2001-04-26 WO disclosed
US-6140501-A CHEMICAL INTERMEDIATES UCB, S.A. (BE) 2000-10-31 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
EP-0801064-A1 Process for the preparation of 2-(2-(4((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)-acetic acid and their salts U C B, S.A. (BE) 1997-10-15 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-20060258684-A1 2-[2-[4-[(4-chlorophenyl) phenylmethyl]-1-piperazinyl]ethoxy]acetic acid monohydrochloride as anti-allergenic compound and process for its production CMA1, HRH2, HRH1 DRD3 4061/4885HRH1 3/4885KCNH2 680/4885
US-20030092911-A1 Hydrolysis in presence of phase transfer agents; antiallergens CMA1, NAT1, CPN1 DRD3 2986/4885HRH1 8/4885KCNH2 2290/4885
US-20110172425-A1 NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES ALK, WIZ, HACL2 DRD3 1114/4885HRH1 1046/4885KCNH2 111/4885
US-20160367551-A1 COMPLEX GRANULE FORMULATION HAVING IMPROVED STABILITY COMPRISING LEVOCETIRIZINE AND MONTELUKAST GRK5, CMA1, TAS2R14 DRD3 2887/4885HRH1 450/4885KCNH2 521/4885

“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.