SCHEMBL1134842

SCHEMBL1134842

NCc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.69
CYP2C19 P33261 1/20 0.55
PNMT P11086 2/20 0.50
F10 P00742 2/20 0.47
PTGS2 P35354 2/20 0.47
PTGS1 P23219 1/20 0.47
CYP1A2 P05177 1/20 0.44
HTR7 P34969 1/20 0.43
HSD17B3 P37058 1/20 0.43
MAOB P27338 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL30466810 1.00 DPP4 (0.69) DPP4CYP2C19PNMTF10PTGS2
SCHEMBL2981250 0.83 DPP4 (0.91) DPP4PNMTHTR7TAAR1NOS3
SCHEMBL17842280 0.82 NR4A2 (0.49) DPP4CYP2C19PNMTF10PTGS2
SCHEMBL29872374 0.82 DPP4 (1.00) DPP4PNMTHTR7TAAR1
SCHEMBL469051 0.82 DPP4 (1.00) DPP4PNMTHTR7TAAR1
SCHEMBL1497158 0.81 CYP2C19 (0.53) DPP4CYP2C19PTGS2PTGS1CYP1A2
SCHEMBL399409 0.81 DPP4 (0.72) DPP4CYP2C19PNMTMAOBTAAR1
SCHEMBL1559894 0.81 CYP2C19 (0.49) DPP4CYP2C19PTGS2PTGS1CYP1A2
SCHEMBL3789431 0.81 DPP4 (0.72) DPP4PNMTMAOBTAAR1NOS3
Hydrochloric Acid SCHEMBL4776720 0.80 DPP4 (0.95) DPP4PNMTHTR7TAAR1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167479-B1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LTD (IN) 2013-09-11 EP claimed
US-8084606-B2 Process for preparation of substantially optically pure levorotatory and dextrorotatory enantiomers of cetirizine using novel intermediates SYMED LABS LIMITED (IN) 2011-12-27 US claimed
US-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CIPLA LIMITED (IN) 2011-07-28 US claimed
EP-2167479-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES Symed Labs Limited (IN) 2010-03-31 EP claimed
US-20090281318-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2009-11-12 US claimed
WO-2008152650-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2008-12-18 WO claimed
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
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2003-10-30 US claimed
EP-0617028-B1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl)sulfonyl] piperazine UCB SA (BE) 2000-06-14 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
EP-2064192-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2014-05-14 EP disclosed
EP-2167479-B1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES SYMED LABS LTD (IN) 2013-09-11 EP disclosed
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-8350031-B2 Processes for the synthesis of levocetirizine and intermediates for use therein CIPLA LIMITED (IN) 2013-01-08 US disclosed
US-5792770-A ADMINISTERING AS SEDATIVE, TRANQUILIZER, ANXIOLYTIC AGENT U C B S.A. (BE) 1998-08-11 US disclosed
US-5703082-A ANTIHISTAMINE; TRANQUILIZERS U C B S.A. (BE) 1997-12-30 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
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-5278191-A Nervous system disorders G. D. SEARLE & CO. (US) 1994-01-11 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 (6 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-20110184174-A1 Processes for the Synthesis of Levocetirizine and Intermediates for Use Therein CYP3A5, CYP4A11, IL5 DPP4 968/4885CYP2C19 47/4885PNMT 391/4885
US-20040122021-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl)-4-[(4-methylphenyl)sulfonyl) piperazine RPLP1, QDPR, RPLP2 DPP4 25/4885CYP2C19 213/4885PNMT 39/4885
US-20030204089-A1 Enantiomers of 1-[(4-chlorophenyl) phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR DPP4 26/4885CYP2C19 260/4885PNMT 40/4885
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR DPP4 26/4885CYP2C19 260/4885PNMT 40/4885
US-20090281318-A1 PROCESS FOR PREPARATION OF SUBSTANTIALLY OPTICALLY PURE LEVOROTATORY AND DEXTROROTATORY ENANTIOMERS OF CETIRIZINE USING NOVEL INTERMEDIATES CYP3A5, TPH1, CYP51A1 DPP4 173/4885CYP2C19 111/4885PNMT 97/4885
US-20130131063-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 DPP4 4212/4885CYP2C19 4726/4885PNMT 3559/4885

“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.