SCHEMBL3988740

SCHEMBL3988740

OCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.58
BCL2 P10415 4/20 0.52
BAK1 Q16611 2/20 0.52
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
BCL2L1 Q07817 2/20 0.47
HTR1A P08908 1/20 0.46
HTR6 P50406 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 1/20 0.46

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 SCHEMBL5113101 0.99 HTR7 (0.57) HTR7BCL2BAK1HRH3LMNA
SCHEMBL7130632 0.87 HTR7 (0.57) HTR7BCL2BAK1HRH3ALDH1A1
Hydrochloric Acid SCHEMBL9182345 0.87 HTR7 (0.57) HTR7BCL2BAK1HRH3LMNA
SCHEMBL1446951 0.87 HTR7 (0.57) HTR7BCL2BAK1HRH3LMNA
SCHEMBL2194377 0.87 HTR7 (0.63) HTR7BCL2BAK1HRH3LMNA
SCHEMBL1138135 0.87 HTR7 (0.60) HTR7BCL2BAK1HRH3LMNA
Hydrochloric Acid SCHEMBL9860099 0.86 HTR7 (0.56) HTR7BCL2BAK1HRH3LMNA
SCHEMBL2193479 0.86 HTR7 (0.56) HTR7BCL2BAK1HRH3LMNA
Hydrochloric Acid SCHEMBL9859525 0.85 HTR7 (0.62) HTR7BCL2BAK1HRH3LMNA
SCHEMBL2116073 0.85 HTR7 (0.53) HTR7BCL2BAK1ALDH1A1KDM4E

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-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
WO-2009062036-A2 PROCESSES FOR PREPARING LEVOCETIRIZINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2009-05-14 WO disclosed
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 disclosed
CN-1692105-A Cetirizine dihydrochloride polymorph and preparation method thereof REDDY LAB CO LTD (IN) 2005-11-02 CN disclosed
EP-1233955-B1 PROCESS FOR PREPARING PIPERAZINE-SUBSTITUTED ALIPHATIC CARBOXYLATES CAMBREX CHARLES CITY INC (US) 2005-09-28 EP disclosed
US-20040186112-A1 Polymorphic forms of dihydrochloride salts of cetirizine and processes for preparation thereof DR. REDDY'S LABORATORIES LIMITED 2004-09-23 US disclosed
WO-2004050647-A2 POLYMORPHIC FORMS OF DIHYDROCHLORIDE SALTS OF CETIRIZINE AND PROCESSES FOR PREPARATION THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2004-06-17 WO 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
EP-0927173-B1 SUBSTITUTED [2-(1-PIPERAZINYL)ETHOXY]METHYL UCB SA (BE) 2002-06-12 EP disclosed
US-6265579-B1 TREATING SOLUTION COMPRISING PIPERAZINE-SUBSTITUTED ETHANOL AND LEAVING GROUP-SUBSTITUTED ALIPHATIC ESTER WITH BASE IN PRESENCE OF PHASE TRANSFER CATALYST TO FORM CORRESPONDING ALIPHATIC CARBOXYLATE, HYDROLYZING WITH ACID SALSBURY CHEMICALS, INC. 2001-07-24 US disclosed
US-6255487-B1 PREPARING 2-(2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPER-AZINYL)ETHOXY)ACETIC ACID VIA REACTING SUBSTITUTED (2-((1-PIPERAZINYL)ETHOXY)METHYL COMPOUND WITH A DIPHENYLMETHYL HALIDE, THEN HYDROLYZING IN ALCOHOLIC MEDIUM WITH ACID/BASE UCB, S.A. (BE) 2001-07-03 US disclosed
US-6140501-A CHEMICAL INTERMEDIATES UCB, S.A. (BE) 2000-10-31 US 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 (2 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 HTR7 1413/4885BCL2 969/4885BAK1 466/4885
US-20040186112-A1 Polymorphic forms of dihydrochloride salts of cetirizine and processes for preparation thereof HRH1, HRH4, HRH2 HTR7 318/4885BCL2 4728/4885BAK1 4810/4885

“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.