SCHEMBL5213814

SCHEMBL5213814

CC(=O)c1ccc(OCCCN2CCCC2NS(=O)(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 11/20 0.69
HRH1 P35367 11/20 0.69
HRH3 Q9Y5N1 6/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.46
PTGER4 P35408 1/20 0.46

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
SCHEMBL5220355 0.91 HRH2 (0.69) HRH2HRH1HRH3
SCHEMBL5213785 0.89 HRH3 (0.62) HRH2HRH1HRH3
SCHEMBL5214991 0.87 HRH3 (0.60) HRH2HRH1HRH3
SCHEMBL5216055 0.87 HRH3 (0.54) HRH2HRH1HRH3
SCHEMBL5217290 0.86 HRH2 (0.52) HRH2HRH1HRH3KDM4E
SCHEMBL5215695 0.86 HRH3 (0.59) HRH2HRH1HRH3
SCHEMBL5217537 0.86 HRH3 (0.59) HRH2HRH1HRH3
SCHEMBL5214772 0.86 HRH3 (0.59) HRH2HRH1HRH3
SCHEMBL5214617 0.85 HRH2 (0.67) HRH2HRH1HRH3ALDH1A1MAPT
SCHEMBL5217598 0.85 HRH2 (0.50) HRH2HRH1HRH3ALDH1A1KDM4E

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
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 EP claimed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US claimed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 US claimed
EP-1301480-B1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2007-09-12 EP disclosed
US-6620839-B2 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2003-09-16 US disclosed
US-6515013-B2 For diseases or conditions caused by or exacerbated by histamine-3 receptor activity ABBOTT LABORATORIES 2003-02-04 US disclosed
US-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-09-26 US disclosed
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-03-21 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-20020137931-A1 1,3-disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH2 4/4885HRH1 3/4885HRH3 1/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH2 4/4885HRH1 3/4885HRH3 1/4885

“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.