SCHEMBL5213938

SCHEMBL5213938

N#Cc1ccc(-c2ccc(OCCCN3CCCC3NC(=O)c3csc(-c4cccnc4)n3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.59
HRH1 P35367 4/20 0.59
HRH3 Q9Y5N1 3/20 0.46
HDAC6 Q9UBN7 1/20 0.43
IRAK4 Q9NWZ3 7/20 0.43
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HDAC2 Q92769 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CHEK1 O14757 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 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
SCHEMBL5217227 0.89 HRH2 (0.74) HRH2HRH1HRH3HDAC6IRAK4
SCHEMBL5214756 0.88 HRH2 (0.74) HRH2HRH1HRH3HDAC6IRAK4
SCHEMBL5213431 0.84 HRH3 (0.53) HRH2HRH1HRH3
SCHEMBL5213776 0.84 HRH2 (0.49) HRH2HRH1HRH3IRAK4ATP4A
SCHEMBL5216057 0.78 HRH3 (0.62) HRH2HRH1HRH3
SCHEMBL5215403 0.76 HRH3 (0.64) HRH2HRH1HRH3
SCHEMBL5251129 0.75 HRH3 (0.63) HRH2HRH1HRH3
SCHEMBL5216001 0.75 HRH3 (0.66) HRH2HRH1HRH3
SCHEMBL5217092 0.74 HRH3 (0.55) HRH2HRH1HRH3
SCHEMBL5216281 0.74 HRH3 (0.57) 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 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.