SCHEMBL4032844

SCHEMBL4032844

CC(O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.71
CHRM2 P08172 4/20 0.71
ADRA2A P08913 4/20 0.71
DRD3 P35462 4/20 0.71
CHRM1 P11229 3/20 0.71
DRD1 P21728 3/20 0.71
ADRA1A P35348 3/20 0.71
SLC6A3 Q01959 3/20 0.71
HTR1A P08908 2/20 0.71
TBXA2R P21731 2/20 0.71
SLC6A2 P23975 2/20 0.71
SLC6A4 P31645 2/20 0.71
BCL2 P10415 1/20 0.71
HRH3 Q9Y5N1 1/20 0.71
CYP2D6 P10635 4/20 0.69
TSHR P16473 1/20 0.69
CYP2C19 P33261 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
OPRM1 P35372 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64

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
Hydrochloric Acid SCHEMBL6475987 0.97 CYP2D6 (0.70) KCNH2CHRM2ADRA2ADRD3CHRM1
SCHEMBL3977325 0.90 OPRM1 (0.66) KCNH2CHRM2ADRA2ADRD3CHRM1
SCHEMBL7668121 0.88 CHRM2 (0.83) KCNH2CHRM2ADRA2ADRD3CHRM1
SCHEMBL16769329 0.87 KCNH2 (0.76) KCNH2CHRM2ADRA2ADRD3CHRM1
SCHEMBL13900811 0.87 KCNH2 (0.76) KCNH2CHRM2ADRA2ADRD3CHRM1
SCHEMBL7283040 0.86 KCNH2 (0.66) KCNH2CHRM2ADRA2ADRD3CHRM1
Water SCHEMBL7268832 0.85 KCNH2 (0.64) KCNH2CHRM2ADRA2ADRD3CHRM1
SCHEMBL27598786 0.84 CHRM2 (0.67) KCNH2CHRM2ADRA2ADRD3CHRM1
SCHEMBL27705907 0.84 CHRM2 (0.67) KCNH2CHRM2ADRA2ADRD3CHRM1
SCHEMBL27686841 0.84 CHRM2 (0.67) KCNH2CHRM2ADRA2ADRD3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20090030205-A1 Process for obtaining cetirizine dihydrochloride COSMA S.P.A. 2009-01-29 US disclosed
US-20090030205-A1 Process for obtaining cetirizine dihydrochloride COSMA S.P.A. 2009-01-29 US disclosed
EP-2019096-A1 Process for obtaining Cetirizine dihydrochloride Cosma S.p.A. (IT) 2009-01-28 EP disclosed
EP-2019096-A1 Process for obtaining Cetirizine dihydrochloride Cosma S.p.A. (IT) 2009-01-28 EP disclosed
US-6908999-B2 Hydrolysis of N,N-disubstituted (2-(4-(alpha-phenyl-p-chloro-benzyl)piperazin-1-yl)ethoxy)acetamide, to form cetirizine and salts, used as antiallergens EGIS GYOGYSZERGYAR RT. (HU) 2005-06-21 US disclosed
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 disclosed
US-20030092911-A1 Hydrolysis in presence of phase transfer agents; antiallergens EGIS GYOGYSZERGYAR RT. (HU) 2003-05-15 US disclosed
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 disclosed
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 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-20030092911-A1 Hydrolysis in presence of phase transfer agents; antiallergens CMA1, NAT1, CPN1 KCNH2 2290/4885CHRM2 297/4885ADRA2A 479/4885

“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.