SCHEMBL2058741

SCHEMBL2058741

O=C(O)COCCN1CCN(Cc2ccccc2-c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
HTR7 P34969 4/20 0.47
DRD3 P35462 3/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
TACR1 P25103 2/20 0.46
HRH1 P35367 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
HRH2 P25021 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TEK Q02763 1/20 0.46
KCNH2 Q12809 1/20 0.46
USP2 O75604 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45

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 SCHEMBL10930920 0.99 HRH3 (0.48) HRH3HTR7DRD3DRD2DRD4
SCHEMBL7608234 0.90 ADORA2A (0.43) HRH3HTR7DRD3DRD2DRD4
SCHEMBL10932211 0.90 HRH3 (0.48) HRH3HTR7DRD3DRD2DRD4
SCHEMBL219876 0.89 HRH1 (0.59) HRH3HTR7DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL5686168 0.88 HRH1 (0.60) HRH3HTR7DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL219199 0.88 HRH1 (0.60) HRH3HTR7DRD3DRD2DRD4
SCHEMBL2058761 0.87 HRH1 (0.57) HRH3HTR7DRD3DRD2DRD4
SCHEMBL10931795 0.86 HTR7 (0.50) HRH3HTR7DRD3DRD2TACR1
Hydrochloric Acid SCHEMBL10930701 0.86 HRH1 (0.58) HRH3HTR7DRD3DRD2DRD4
SCHEMBL9353032 0.83 CARM1 (0.54) HTR7TDP1KDM4EALDH1A1KMT2A

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 10 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
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
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
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 (3 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 HRH3 1605/4885HTR7 2862/4885DRD3 4344/4885
US-20050026890-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with an antihistamine for treatment of asthma or chronic obstructive pulmonary disease KIT, HSD11B2, HSD3B1 HRH3 29/4885HTR7 277/4885DRD3 967/4885
US-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis HRH4, HRH2, HRH1 HRH3 4/4885HTR7 45/4885DRD3 778/4885

“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.