SCHEMBL5217620

SCHEMBL5217620

CC(=O)c1ccc(OCCCN2CCCC2NS(=O)(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 6/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
XBP1 P17861 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
PPARG P37231 5/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
FAAH O00519 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL6842227 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL5214780 0.82 PKM (0.49) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL5217598 0.81 HRH2 (0.50) SMN1; SMN2ALDH1A1HRH2HRH1HRH3
SCHEMBL5217290 0.81 HRH2 (0.52) HRH2HRH1HRH3
SCHEMBL6842229 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL5214982 0.78 HRH2 (0.47) ALDH1A1KMT2AHRH2HRH1HRH3
SCHEMBL5216050 0.78 HRH2 (0.58) HRH2HRH1HRH3
SCHEMBL5213814 0.77 HRH2 (0.69) ALDH1A1MAPTHRH2HRH1HRH3
SCHEMBL5215001 0.76 HRH2 (0.57) HRH2HRH1HRH3
SCHEMBL5216807 0.75 HRH2 (0.51) HRH2HRH1HRH3

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 SMN1; SMN2 4188/4885ALDH1A1 962/4885LMNA 4787/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 SMN1; SMN2 4188/4885ALDH1A1 962/4885LMNA 4787/4885

“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.