SCHEMBL1446951

SCHEMBL1446951

OCCOCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.57
HTR2A P28223 3/20 0.57
HTR2B P41595 3/20 0.57
ADRA2A P08913 3/20 0.57
CHRM2 P08172 2/20 0.57
DRD2 P14416 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
DRD4 P21917 2/20 0.57
HRH2 P25021 2/20 0.57
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57
DRD3 P35462 2/20 0.57
OPRK1 P41145 2/20 0.57
HTR6 P50406 2/20 0.57
KCNH2 Q12809 2/20 0.57
ABCB11 O95342 1/20 0.57
HTR5A P47898 1/20 0.57
USP2 O75604 1/20 0.57
CYP2D6 P10635 1/20 0.57

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
SCHEMBL2193479 0.99 HTR7 (0.56) HTR7HTR2AHTR2BADRA2ACHRM2
Hydrochloric Acid SCHEMBL9860099 0.99 HTR7 (0.56) HTR7HTR2AHTR2BADRA2ACHRM2
Hydroxyzine SCHEMBL10930632 0.89 HRH1 (0.78) HTR7HTR2AHTR2BADRA2ACHRM2
SCHEMBL3988740 0.87 HTR7 (0.58) HTR7HTR6HRH3BCL2BAK1
SCHEMBL2058761 0.86 HRH1 (0.57) HTR7HTR2AHTR2BADRA2ACHRM2
SCHEMBL219876 0.86 HRH1 (0.59) HTR7HTR2AHTR2BADRA2ACHRM2
Hydrochloric Acid SCHEMBL5113101 0.85 HTR7 (0.57) HTR7HTR6KCNH2HRH3BCL2
Hydrochloric Acid SCHEMBL10930701 0.85 HRH1 (0.58) HTR7HTR2AHTR2BADRA2ACHRM2
SCHEMBL7628259 0.85 HTR7 (0.48) HTR7HTR2AHTR2BADRA2ACHRM2
SCHEMBL1569359 0.85 HTR7 (0.50) HTR7HTR2AHTR2BHRH2HRH1

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 52 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-1413307-A1 Therapeutically active levorotatory and dextrorotatory 1-(4-chlorophenyl)phenylmethyl piperazines UCB S.A. (BE) 2004-04-28 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-20030105112-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2003-06-05 US 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
EP-0433766-A1 Compositions of antiallergics and antihistamines and methods for their use ALCON LABORATORIES, INC. (US) 1991-06-26 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
EP-2297122-A1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2011-03-23 EP disclosed
WO-2009150147-A1 NEW PROCESS FOR THE PREPARATION OF LEVOCETIRIZINE AND INTERMEDIATES THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2009-12-17 WO disclosed
US-7491047-B2 Delivery of antihistamines through an inhalation route ALEXZA PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-7482022-B2 Palatable chewable tablet PFIZER INC. (US) 2009-01-27 US disclosed
EP-1392257-B1 DELIVERY OF ANTIHISTAMINES THROUGH AN INHALATION ROUTE ALEXZA PHARMACEUTICALS INC (US) 2008-07-16 EP 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
US-5192780-A Ophthalmology; lodoxamide, emedastine ALCON LABORATORIES, INC. (US) 1993-03-09 US disclosed
EP-0058146-B1 2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)-ACETIC ACIDS AND THEIR AMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS U C B, S.A. (BE) 1984-06-27 EP disclosed
EP-0058146-A1 2-(4-(Diphenylmethyl)-1-piperazinyl)-acetic acids and their amides, process for their preparation and pharmaceutical compositions U C B, S.A. (BE) 1982-08-18 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 (5 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 169/4885HTR2A 34/4885HTR2B 108/4885
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR HTR7 163/4885HTR2A 30/4885HTR2B 110/4885
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR HTR7 163/4885HTR2A 30/4885HTR2B 110/4885
US-20030105112-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, RPLP2 HTR7 212/4885HTR2A 49/4885HTR2B 128/4885
US-20110172425-A1 NOVEL WATER BASED PROCESS FOR THE PREPARATION OF SUBSTITUTED DIPHENYLMETHYL PIPERAZINES ALK, WIZ, HACL2 HTR7 1254/4885HTR2A 403/4885HTR2B 781/4885

“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.