SCHEMBL5182319

SCHEMBL5182319

COC(=O)COCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.53
BCL2 P10415 7/20 0.51
BAK1 Q16611 2/20 0.51
BCL2L1 Q07817 5/20 0.49
HRH3 Q9Y5N1 1/20 0.47
HRH1 P35367 3/20 0.46
SLC6A2 P23975 1/20 0.46
HRH2 P25021 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TEK Q02763 1/20 0.46
KCNH2 Q12809 1/20 0.46
USP2 O75604 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ITGB1 P05556 1/20 0.44

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
SCHEMBL219876 0.88 HRH1 (0.59) HTR7BCL2BAK1BCL2L1HRH3
Hydrochloric Acid SCHEMBL5686168 0.87 HRH1 (0.60) HTR7BCL2BAK1BCL2L1HRH3
Hydrochloric Acid SCHEMBL219199 0.87 HRH1 (0.60) HTR7BCL2BAK1BCL2L1HRH3
SCHEMBL1569359 0.87 HTR7 (0.50) HTR7BCL2BAK1BCL2L1HRH3
Potassium Ion SCHEMBL2058535 0.86 HTR7 (0.49) HTR7BCL2BAK1BCL2L1HRH3
SCHEMBL2058761 0.86 HRH1 (0.57) HTR7BCL2BAK1BCL2L1HRH3
SCHEMBL7628259 0.85 HTR7 (0.48) HTR7BCL2BAK1BCL2L1HRH3
Hydrochloric Acid SCHEMBL10930701 0.85 HRH1 (0.58) HTR7BCL2BAK1BCL2L1HRH3
SCHEMBL7949229 0.85 HTR7 (0.45) HTR7BCL2BAK1BCL2L1HRH3
Hydrochloric Acid SCHEMBL10930120 0.84 HTR7 (0.47) HTR7BCL2BAK1BCL2L1HRH3

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 HTR7 169/4885BCL2 3769/4885BAK1 4069/4885
US-20050182070-A1 Method for the treatment of allergic conditions CMA1, HRH2, HRH4 HTR7 308/4885BCL2 3660/4885BAK1 3373/4885
US-20030105113-A1 Enantiomers of 1-[ (4-chlorophenyl) phenylmethyl ] -4-[ (4-methylphenyl) sulfonyl ] piperazine RPLP1, QDPR, PRLHR HTR7 163/4885BCL2 3811/4885BAK1 4147/4885
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR HTR7 163/4885BCL2 3811/4885BAK1 4147/4885
US-20070142400-A1 For treatment of allergies; antihistamines HRH2, HRH1, HRH4 HTR7 337/4885BCL2 4044/4885BAK1 3016/4885
US-20050182069-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine QDPR, COMT, PRLHR HTR7 108/4885BCL2 3738/4885BAK1 4340/4885
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR HTR7 163/4885BCL2 3811/4885BAK1 4147/4885
US-20060229319-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl)-4-[(4-methylphenyl)sulfonyl] piperazine HRH2, HRH1, HRH4 HTR7 135/4885BCL2 3235/4885BAK1 1867/4885
US-20060229320-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine HRH2, CMA1, HRH4 HTR7 296/4885BCL2 3488/4885BAK1 3253/4885
US-20060252934-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl]piperazine QDPR, PRLHR, COMT HTR7 102/4885BCL2 3721/4885BAK1 4394/4885

“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.