SCHEMBL2058756

SCHEMBL2058756

O=C(O)COCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.95
HRH1 P35367 4/20 0.95
USP2 O75604 3/20 0.95
HRH2 P25021 2/20 0.95
HTR2A P28223 2/20 0.95
HTR2B P41595 2/20 0.95
KCNH2 Q12809 2/20 0.95
TDP1 Q9NUW8 2/20 0.95
SLC6A2 P23975 1/20 0.95
SLC6A4 P31645 1/20 0.95
SLC6A3 Q01959 1/20 0.95
TEK Q02763 1/20 0.95
DRD2 P14416 4/20 0.75
ABCB11 O95342 1/20 0.75
CHRM2 P08172 1/20 0.75
ADRA2A P08913 1/20 0.75
ADRA2B P18089 1/20 0.75
ADRA2C P18825 1/20 0.75
DRD4 P21917 1/20 0.75
HTR7 P34969 1/20 0.75

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
Hydrochloric Acid SCHEMBL10930690 0.99 HRH1 (0.96) DRD3HRH1USP2HRH2HTR2A
Cetirizine SCHEMBL5526985 0.98 DRD3 (1.00) DRD3HRH1USP2HRH2HTR2A
Cetirizine SCHEMBL4176 0.98 DRD3 (1.00) DRD3HRH1USP2HRH2HTR2A
Levocetirizine SCHEMBL5935097 0.98 DRD3 (1.00) DRD3HRH1USP2HRH2HTR2A
Cetirizine SCHEMBL13724610 0.98 DRD3 (1.00) DRD3HRH1USP2HRH2HTR2A
Levocetirizine SCHEMBL4914 0.98 DRD3 (1.00) DRD3HRH1USP2HRH2HTR2A
Cetirizine SCHEMBL2455487 0.98 DRD3 (1.00) DRD3HRH1USP2HRH2HTR2A
Cetirizine SCHEMBL5520719 0.97 HRH1 (1.00) DRD3HRH1USP2HRH2HTR2A
Cetirizine SCHEMBL2430457 0.97 DRD3 (0.98) DRD3HRH1USP2HRH2HTR2A
Cetirizine SCHEMBL41107 0.97 HRH1 (1.00) DRD3HRH1USP2HRH2HTR2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469009-B1 MIXTURE CONSISTING ESSENTIALLY OF PSEUDOEPHEDRINE AND COMPOUND SELECTED FROM 2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)-ACETIC ACID OR AMIDE DERIVATIVES, THEIR INDIVIDUAL OPTICAL ISOMERS OR PHARMACEUTICALLY ACCEPTABLE SALTS UCB, S.A. (BE) 2002-10-22 US claimed
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis UCB PHARMA, S.A. (BE) 2001-09-06 US claimed
US-7968549-B2 Diarylmethylpiperazines as therapeutic agents for viral myocarditis MATSUMORI AKIRA 2011-06-28 US disclosed
US-20070281947-A1 Diarylmethylpiperazines As Prophylactic Or Therapeutic Agents For Viral Myocarditis UCB FARCHIM SA (CH) 2007-12-06 US disclosed
EP-1521581-A1 DIARYLMETHYLPIPERAZINES AS PROPHYLACTIC OR THERAPEUTIC AGENTS FOR VIRAL MYOCARDITIS UCB Farchim S.A. (CH) 2005-04-13 EP disclosed
WO-2004004728-A1 DIARYLMETHYLPIPERAZINES AS PROPHYLACTIC OR THERAPEUTIC AGENTS FOR VIRAL MYOCARDITIS UCB FARCHIM S.A. (CH) 2004-01-15 WO disclosed
US-6489329-B2 MIXTURE OF PSEUDOEPHEDRINE AND 2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)ACETIC ACID UCB S.A. (BE) 2002-12-03 US disclosed
US-6469009-B1 MIXTURE CONSISTING ESSENTIALLY OF PSEUDOEPHEDRINE AND COMPOUND SELECTED FROM 2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)-ACETIC ACID OR AMIDE DERIVATIVES, THEIR INDIVIDUAL OPTICAL ISOMERS OR PHARMACEUTICALLY ACCEPTABLE SALTS UCB, S.A. (BE) 2002-10-22 US disclosed
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis UCB PHARMA, S.A. (BE) 2001-09-06 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 (2 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-20070281947-A1 Diarylmethylpiperazines As Prophylactic Or Therapeutic Agents For Viral Myocarditis ACE2, TNNT2, MYLK2 DRD3 4344/4885HRH1 575/4885USP2 2087/4885
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis HRH4, HRH2, HRH1 DRD3 778/4885HRH1 3/4885USP2 2822/4885

“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.