SCHEMBL2190477

SCHEMBL2190477

CC(C)(C)c1ccc(CN2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
NR1I2 O75469 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CNR1 P21554 1/20 0.58
HRH1 P35367 1/20 0.58
OPRK1 P41145 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
GHSR Q92847 1/20 0.58
HTR7 P34969 4/20 0.56
SIGMAR1 Q99720 4/20 0.51
BCL2 P10415 2/20 0.50
BAK1 Q16611 2/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LSS P48449 1/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 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
SCHEMBL588394 0.85 SIGMAR1 (0.67) LMNAHTR7SIGMAR1BCL2BAK1
Hydrochloric Acid SCHEMBL587708 0.84 SIGMAR1 (0.65) LMNAHTR7SIGMAR1BCL2BAK1
SCHEMBL2194377 0.81 HTR7 (0.63) LMNAHTR7BCL2BAK1KDM4E
Hydrochloric Acid SCHEMBL9859525 0.80 HTR7 (0.62) LMNAHTR7BCL2BAK1KDM4E
SCHEMBL29137691 0.79 BCL2 (0.57) LMNAHTR7SIGMAR1BCL2BAK1
SCHEMBL8744976 0.79 KDM4E (0.55) HTR7SIGMAR1BCL2BAK1KDM4E
SCHEMBL2190696 0.79 ALDH1A1 (0.63) LMNAADORA3CNR1HRH1OPRK1
SCHEMBL1138135 0.78 HTR7 (0.60) LMNAHTR7SIGMAR1BCL2BAK1
SCHEMBL8744977 0.77 KDM4E (0.57) HTR7SIGMAR1BCL2BAK1KDM4E
SCHEMBL3988740 0.77 HTR7 (0.58) LMNAHTR7SIGMAR1BCL2BAK1

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 39 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
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
EP-0955295-A1 Therapeutically active levorotatory and dextrorotatory 1-((4-chlorophenyl)phenylmethyl) piperazines UCB, S.A. (BE) 1999-11-10 EP claimed
EP-0617028-A1 Enantiomers of 1-(4-chlorophenyl)phenylmethyl)-4-(4-methylphenyl)sulfonyl piperazine U C B, S.A. (BE) 1994-09-28 EP claimed
US-20110172425-A1 NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES CALYX CHEMICALS AND PHARMACEUTICALS PVT. LTD. (IN) 2011-07-14 US disclosed
WO-2010046908-A2 NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES CALYX CHEMICALS AND PHARMACEUTICALS PVT. LTD. (IN) 2010-04-29 WO disclosed
US-7482022-B2 Palatable chewable tablet PFIZER INC. (US) 2009-01-27 US disclosed
EP-1494654-B1 PALATABLE CHEWABLE TABLET PFIZER PROD INC (US) 2008-03-12 EP disclosed
US-20070142400-A1 For treatment of allergies; antihistamines COSSEMENT ERIC 2007-06-21 US disclosed
US-20060252934-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl]piperazine COSSEMENT ERIC 2006-11-09 US disclosed
US-20060229320-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine GOBERT JEAN 2006-10-12 US disclosed
US-6455533-B1 SUBSTITUTED BENZHYDRYLPIPERAZINES SUCH AS CETIRIZINE, HYDROXYZINE, EFLETIRIZINE, MECLIZINE AND BUCLIZINE, THE OPTICALLY ACTIVE ISOMERS THEREOF AND THE PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF. UCB, S.A. (BE) 2002-09-24 US disclosed
WO-2002067987-A2 COMBINATIONS OF A 5HT1 RECEPTOR AGONIST WITH AN ANALGESIC, AND AN ANTI-EMETIC AND/OR A GASTROPROKINETIC AGENT GLAXO GROUP LIMITED (GB) 2002-09-06 WO 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-20020032217-A1 PHARMACEUTICAL COMPOSITIONS FOR ORAL ADMINISTRATION, COMPRISING AN ACTIVE SUBSTANCE AND A CYCLODEXTRIN UCB PHARMA, S.A. (BE) 2002-03-14 US disclosed
EP-0617028-B1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl] piperazine UCB SA (BE) 2000-06-14 EP disclosed
EP-0955295-A1 Therapeutically active levorotatory and dextrorotatory 1-((4-chlorophenyl)phenylmethyl) piperazines UCB, S.A. (BE) 1999-11-10 EP 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
EP-0617028-A1 Enantiomers of 1-(4-chlorophenyl)phenylmethyl)-4-(4-methylphenyl)sulfonyl piperazine U C B, S.A. (BE) 1994-09-28 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 (7 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-20020032217-A1 PHARMACEUTICAL COMPOSITIONS FOR ORAL ADMINISTRATION, COMPRISING AN ACTIVE SUBSTANCE AND A CYCLODEXTRIN ABCC5, ABCC2, CYP3A5 LMNA 4049/4885NR1I2 915/4885ADORA3 1913/4885
US-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine RPLP1, QDPR, RPLP2 LMNA 4169/4885NR1I2 412/4885ADORA3 3022/4885
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR LMNA 4245/4885NR1I2 409/4885ADORA3 3022/4885
US-20070142400-A1 For treatment of allergies; antihistamines HRH2, HRH1, HRH4 LMNA 4690/4885NR1I2 892/4885ADORA3 861/4885
US-20110172425-A1 NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES ALK, WIZ, HACL2 LMNA 2353/4885NR1I2 3318/4885ADORA3 733/4885
US-20060229320-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine HRH2, CMA1, HRH4 LMNA 4536/4885NR1I2 951/4885ADORA3 945/4885
US-20060252934-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl]piperazine QDPR, PRLHR, COMT LMNA 4166/4885NR1I2 559/4885ADORA3 2817/4885

“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.