SCHEMBL3847601

SCHEMBL3847601

NC(=O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.83
DRD3 P35462 5/20 0.83
USP2 O75604 3/20 0.83
HRH2 P25021 2/20 0.83
HTR2A P28223 2/20 0.83
HTR2B P41595 2/20 0.83
KCNH2 Q12809 2/20 0.83
TDP1 Q9NUW8 2/20 0.83
SLC6A2 P23975 1/20 0.83
SLC6A4 P31645 1/20 0.83
SLC6A3 Q01959 1/20 0.83
TEK Q02763 1/20 0.83
DRD2 P14416 4/20 0.71
ABCB11 O95342 1/20 0.71
CHRM2 P08172 1/20 0.71
ADRA2A P08913 1/20 0.71
ADRA2B P18089 1/20 0.71
ADRA2C P18825 1/20 0.71
DRD4 P21917 1/20 0.71
HTR7 P34969 1/20 0.71

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
SCHEMBL3847012 1.00 HRH1 (0.83) HRH1DRD3USP2HRH2HTR2A
SCHEMBL1376101 1.00 HRH1 (0.83) HRH1DRD3USP2HRH2HTR2A
SCHEMBL2058384 0.98 HRH1 (0.80) HRH1DRD3USP2HRH2HTR2A
Hydrochloric Acid SCHEMBL10930111 0.97 HRH1 (0.80) HRH1DRD3USP2HRH2HTR2A
SCHEMBL4665859 0.93 HRH1 (0.70) HRH1DRD3USP2HRH2HTR2A
Cetirizine SCHEMBL14432665 0.91 HRH1 (0.88) HRH1DRD3USP2HRH2HTR2A
Levocetirizine SCHEMBL4914 0.91 DRD3 (1.00) HRH1DRD3USP2HRH2HTR2A
Cetirizine SCHEMBL2455487 0.91 DRD3 (1.00) HRH1DRD3USP2HRH2HTR2A
Cetirizine SCHEMBL13724610 0.91 DRD3 (1.00) HRH1DRD3USP2HRH2HTR2A
Levocetirizine SCHEMBL5935097 0.91 DRD3 (1.00) HRH1DRD3USP2HRH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619085-B2 Pyroglutamate salts and their use in the optical resolution of intermediates for the synthesis of dextrocetirizine and levocetirizine UCB PHARMA, S.A. (BE) 2009-11-17 US claimed
EP-1858866-B1 PYROGLUTAMATE SALTS AND THEIR USE IN THE OPTICAL RESOLUTION OF INTERMEDIATES FOR THE SYNTHESIS OF DEXTROCETIRIZINE AND LEVOCETIRIZINE UCB FARCHIM SA (CH) 2009-06-10 EP claimed
US-20080269489-A1 Pyroglutamate Salts and Their Use in the Optical Resolution of Intermediates for the Synthesis of Dextrocetirizine and Levocetirizine UCB PHARMA, S.A. (BE) 2008-10-30 US claimed
EP-1858866-A1 PYROGLUTAMATE SALTS AND THEIR USE IN THE OPTICAL RESOLUTION OF INTERMEDIATES FOR THE SYNTHESIS OF DEXTROCETIRIZINE AND LEVOCETIRIZINE UCB FARCHIM, S.A. (CH) 2007-11-28 EP claimed
US-7199241-B1 Process for preparing (S) and (R)-2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide UCB, S.A. (BE) 2007-04-03 US claimed
WO-2006094648-A1 PYROGLUTAMATE SALTS AND THEIR USE IN THE OPTICAL RESOLUTION OF INTERMEDIATES FOR THE SYNTHESIS OF DEXTROCETIRIZINE AND LEVOCETIRIZINE UCB FARCHIM SA (CH) 2006-09-14 WO claimed
US-6977301-B1 Process for preparing (S) and (R)—2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide UCB, S.A. (BE) 2005-12-20 US claimed
EP-4321156-A1 FILM-COATED TABLET WITH IMPROVED STABILITY CONTAINING MONTELUKAST OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND LEVOCETIRIZINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Han Wha Pharma Co., Ltd. (KR) 2024-02-14 EP disclosed
WO-2023068839-A1 FILM-COATED TABLET WITH IMPROVED STABILITY CONTAINING MONTELUKAST OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND LEVOCETIRIZINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 한화제약주식회사 2023-04-27 WO disclosed
US-7619085-B2 Pyroglutamate salts and their use in the optical resolution of intermediates for the synthesis of dextrocetirizine and levocetirizine UCB PHARMA, S.A. (BE) 2009-11-17 US disclosed
US-7619085-B2 Pyroglutamate salts and their use in the optical resolution of intermediates for the synthesis of dextrocetirizine and levocetirizine UCB PHARMA, S.A. (BE) 2009-11-17 US disclosed
US-7619085-B2 Pyroglutamate salts and their use in the optical resolution of intermediates for the synthesis of dextrocetirizine and levocetirizine UCB PHARMA, S.A. (BE) 2009-11-17 US disclosed
EP-1858866-B1 PYROGLUTAMATE SALTS AND THEIR USE IN THE OPTICAL RESOLUTION OF INTERMEDIATES FOR THE SYNTHESIS OF DEXTROCETIRIZINE AND LEVOCETIRIZINE UCB FARCHIM SA (CH) 2009-06-10 EP disclosed
US-7199241-B1 Process for preparing (S) and (R)-2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide UCB, S.A. (BE) 2007-04-03 US disclosed
US-7199241-B1 Process for preparing (S) and (R)-2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide UCB, S.A. (BE) 2007-04-03 US disclosed
US-7199241-B1 Process for preparing (S) and (R)-2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide UCB, S.A. (BE) 2007-04-03 US disclosed
WO-2006094648-A1 PYROGLUTAMATE SALTS AND THEIR USE IN THE OPTICAL RESOLUTION OF INTERMEDIATES FOR THE SYNTHESIS OF DEXTROCETIRIZINE AND LEVOCETIRIZINE UCB FARCHIM SA (CH) 2006-09-14 WO disclosed
US-6977301-B1 Process for preparing (S) and (R)—2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide UCB, S.A. (BE) 2005-12-20 US disclosed
US-6977301-B1 Process for preparing (S) and (R)—2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide UCB, S.A. (BE) 2005-12-20 US disclosed
US-6977301-B1 Process for preparing (S) and (R)—2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide UCB, S.A. (BE) 2005-12-20 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 (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-20080269489-A1 Pyroglutamate Salts and Their Use in the Optical Resolution of Intermediates for the Synthesis of Dextrocetirizine and Levocetirizine QPCT, QRFPR, GLUL HRH1 563/4885DRD3 3124/4885USP2 1452/4885

“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.