SCHEMBL5182111

SCHEMBL5182111

COC(=O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 7/20 0.80
▸ HRH1 P35367 4/20 0.80
▸ KCNH2 Q12809 3/20 0.80
▸ USP2 O75604 3/20 0.80
▸ HRH2 P25021 2/20 0.80
▸ HTR2A P28223 2/20 0.80
▸ HTR2B P41595 2/20 0.80
▸ TDP1 Q9NUW8 2/20 0.80
▸ SLC6A2 P23975 2/20 0.80
▸ SLC6A4 P31645 2/20 0.80
▸ SLC6A3 Q01959 2/20 0.80
▸ TEK Q02763 1/20 0.80
▸ DRD2 P14416 5/20 0.69
▸ CHRM2 P08172 2/20 0.69
▸ ADRA2A P08913 2/20 0.69
▸ ADRA1A P35348 2/20 0.69
▸ ABCB11 O95342 1/20 0.69
▸ ADRA2B P18089 1/20 0.69
▸ ADRA2C P18825 1/20 0.69
▸ DRD4 P21917 1/20 0.69

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
SCHEMBL4667455 0.93 HRH1 (0.67) DRD3HRH1KCNH2USP2HRH2
SCHEMBL12288130 0.89 DRD3 (0.77) DRD3HRH1KCNH2USP2HRH2
SCHEMBL12288127 0.89 DRD3 (0.77) DRD3HRH1KCNH2USP2HRH2
SCHEMBL10063666 0.89 DRD3 (0.83) DRD3HRH1KCNH2USP2HRH2
SCHEMBL13949317 0.89 DRD3 (0.83) DRD3HRH1KCNH2USP2HRH2
SCHEMBL13035055 0.89 DRD3 (0.83) DRD3HRH1KCNH2USP2HRH2
Levocetirizine SCHEMBL5935097 0.89 DRD3 (1.00) DRD3HRH1KCNH2USP2HRH2
Cetirizine SCHEMBL2455487 0.89 DRD3 (1.00) DRD3HRH1KCNH2USP2HRH2
Cetirizine SCHEMBL13724610 0.89 DRD3 (1.00) DRD3HRH1KCNH2USP2HRH2
Levocetirizine SCHEMBL4914 0.89 DRD3 (1.00) DRD3HRH1KCNH2USP2HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine COSSEMENT ERIC (BE) 2004-06-24 — — US claimed
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2004-06-24 — — US claimed
EP-0955295-B1 Therapeutically active levorotatory and dextrorotatory 1-((4-chlorophenyl)phenylmethyl) piperazines UCB SA (BE) 2004-05-19 — — EP claimed
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2003-10-30 — — US claimed
US-20070142400-A1 For treatment of allergies; antihistamines COSSEMENT ERIC 2007-06-21 — — US disclosed
EP-1718627-A4 PROCESS FOR PREPARING OPTICALLY ACTIVE CETIRIZINE OR ITS SALT HANLIM PHARMACEUTICAL CO LTD (KR) 2007-04-18 — — EP disclosed
US-20060252934-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl]piperazine COSSEMENT ERIC 2006-11-09 — — US disclosed
EP-1718627-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CETIRIZINE OR ITS SALT Hanlim Pharmaceutical Co., Ltd. (KR) 2006-11-08 — — EP disclosed
US-20060229319-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl)-4-[(4-methylphenyl)sulfonyl] piperazine COSSEMENT ERIC 2006-10-12 — — US disclosed
US-20060229320-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine GOBERT JEAN 2006-10-12 — — US disclosed
US-20050182070-A1 Method for the treatment of allergic conditions GOBERT JEAN (BE) 2005-08-18 — — US disclosed
US-20050182069-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2005-08-18 — — US disclosed
US-20030105113-A1 Enantiomers of 1-[ (4-chlorophenyl) phenylmethyl ] -4-[ (4-methylphenyl) sulfonyl ] piperazine COSSEMENT ERIC (BE) 2003-06-05 — — US disclosed
EP-1235618-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS Conjuchem, Inc. (CA) 2002-09-04 — — EP disclosed
US-6436942-B1 ADMINISTERING THE ANTIHISTAMINE, CETIRIZINE, PRODUCED FROM THIS INTERMEDIATE OF HIGH OPTICAL PURITY UCB, S.A. (BE) 2002-08-20 — — 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
WO-2001017568-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS CONJUCHEM, INC. (CA) 2001-03-15 — — WO disclosed
US-6140501-A CHEMICAL INTERMEDIATES UCB, S.A. (BE) 2000-10-31 — — US disclosed
US-5478941-A Useful in treatment of asthma, allergies, inflammation and anxiety; antihistaminic activity U C B, S.A. (BE) 1995-12-26 — — US 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 (10 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-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine RPLP1, QDPR, RPLP2 DRD3 482/4885HRH1 135/4885KCNH2 260/4885
US-20050182070-A1 Method for the treatment of allergic conditions CMA1, HRH2, HRH4 DRD3 800/4885HRH1 4/4885KCNH2 898/4885
US-20030105113-A1 Enantiomers of 1-[ (4-chlorophenyl) phenylmethyl ] -4-[ (4-methylphenyl) sulfonyl ] piperazine RPLP1, QDPR, PRLHR DRD3 448/4885HRH1 135/4885KCNH2 248/4885
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR DRD3 448/4885HRH1 135/4885KCNH2 248/4885
US-20070142400-A1 For treatment of allergies; antihistamines HRH2, HRH1, HRH4 DRD3 401/4885HRH1 2/4885KCNH2 574/4885
US-20050182069-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine QDPR, COMT, PRLHR DRD3 426/4885HRH1 236/4885KCNH2 422/4885
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR DRD3 448/4885HRH1 135/4885KCNH2 248/4885
US-20060229319-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl)-4-[(4-methylphenyl)sulfonyl] piperazine HRH2, HRH1, HRH4 DRD3 1828/4885HRH1 2/4885KCNH2 213/4885
US-20060229320-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine HRH2, CMA1, HRH4 DRD3 704/4885HRH1 4/4885KCNH2 237/4885
US-20060252934-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl]piperazine QDPR, PRLHR, COMT DRD3 419/4885HRH1 251/4885KCNH2 414/4885

“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.

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