SCHEMBL2058738

SCHEMBL2058738

O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.79
TDP1 Q9NUW8 2/20 0.79
HRH2 P25021 2/20 0.79
HTR2A P28223 2/20 0.79
DRD3 P35462 2/20 0.79
HTR2B P41595 2/20 0.79
KCNH2 Q12809 2/20 0.79
USP2 O75604 2/20 0.79
SLC6A2 P23975 1/20 0.79
SLC6A4 P31645 1/20 0.79
SLC6A3 Q01959 1/20 0.79
TEK Q02763 1/20 0.79
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58

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
Water SCHEMBL10930897 0.99 HRH1 (0.77) HRH1TDP1HRH2HTR2ADRD3
Efletirizine SCHEMBL18816 0.96 HRH1 (0.72) HRH1TDP1HRH2HTR2ADRD3
Efletirizine SCHEMBL8211713 0.95 HRH1 (0.71) HRH1TDP1HRH2HTR2ADRD3
Efletirizine SCHEMBL1691233 0.95 HRH1 (0.73) HRH1TDP1HRH2HTR2ADRD3
Efletirizine SCHEMBL3882700 0.95 HRH1 (0.73) HRH1TDP1HRH2HTR2ADRD3
Efletirizine SCHEMBL3874525 0.94 HRH1 (0.71) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL10932667 0.94 HRH1 (0.69) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL2058840 0.93 HRH1 (0.86) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL10932202 0.91 HRH1 (0.65) HRH1TDP1HRH2HTR2ADRD3
SCHEMBL2058530 0.90 HRH1 (0.82) HRH1TDP1HRH2HTR2ADRD3

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 16 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-4525358-A ANTIHISTAMINES, ANTIALLERGENS, ANTISPASMODICS, BRONCHODILATORS UCB PHARMACEUTICALS, INC. (US) 1985-06-25 US claimed
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 claimed
US-7968549-B2 Diarylmethylpiperazines as therapeutic agents for viral myocarditis MATSUMORI AKIRA 2011-06-28 US disclosed
WO-2010081036-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 WO disclosed
US-20070281947-A1 Diarylmethylpiperazines As Prophylactic Or Therapeutic Agents For Viral Myocarditis UCB FARCHIM SA (CH) 2007-12-06 US disclosed
US-20050090454-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS, LLC 2005-04-28 US disclosed
WO-2005011604-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH AN ANTIHISTAMINE FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 WO disclosed
US-20050026890-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-03 US 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
EP-1014983-A1 NAPROXEN/CETIRIZINE COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY DISORDERS THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
WO-1999015173-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1999-04-01 WO 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 (4 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 HRH1 575/4885TDP1 2017/4885HRH2 265/4885
US-20050026890-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease KIT, HSD11B2, HSD3B1 HRH1 26/4885TDP1 4382/4885HRH2 40/4885
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis HRH4, HRH2, HRH1 HRH1 3/4885TDP1 4206/4885HRH2 2/4885
US-20050090454-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease KIT, HSD11B2, HSD3B1 HRH1 28/4885TDP1 4491/4885HRH2 44/4885

“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.