SCHEMBL7628259

SCHEMBL7628259

NC(=O)COCCOCCN1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.48
HRH3 Q9Y5N1 1/20 0.47
BCL2 P10415 6/20 0.46
BAK1 Q16611 2/20 0.46
HRH1 P35367 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
HRH2 P25021 2/20 0.46
HTR2A P28223 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2B P41595 2/20 0.46
KCNH2 Q12809 2/20 0.46
USP2 O75604 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TEK Q02763 1/20 0.46
CYP2C19 P33261 1/20 0.44
BCL2L1 Q07817 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43

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 SCHEMBL10930120 0.99 HTR7 (0.47) HTR7HRH3BCL2BAK1HRH1
SCHEMBL1569359 0.98 HTR7 (0.50) HTR7HRH3BCL2BAK1HRH1
SCHEMBL2058761 0.90 HRH1 (0.57) HTR7HRH3BCL2BAK1HRH1
Hydrochloric Acid SCHEMBL10930701 0.89 HRH1 (0.58) HTR7HRH3BCL2BAK1HRH1
SCHEMBL219876 0.88 HRH1 (0.59) HTR7HRH3BCL2BAK1HRH1
SCHEMBL7633647 0.88 HTR7 (0.53) HTR7HRH3TDP1KDM4EMEN1
SCHEMBL10932211 0.87 HRH3 (0.48) HTR7HRH3TDP1DRD3KDM4E
Hydrochloric Acid SCHEMBL219199 0.87 HRH1 (0.60) HTR7HRH3BCL2BAK1HRH1
Hydrochloric Acid SCHEMBL5686168 0.87 HRH1 (0.60) HTR7HRH3BCL2BAK1HRH1
SCHEMBL10928076 0.87 TACR1 (0.48) HTR7HRH3TDP1KDM4EMEN1

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 8 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-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
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 (1 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-20010020023-A1 Pharmaceutical compositions for the treatment of rhinitis HRH4, HRH2, HRH1 HTR7 45/4885HRH3 4/4885BCL2 4575/4885

“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.