SCHEMBL5214563

SCHEMBL5214563

CC(=O)c1ccc(OCCCN2CCCC2NS(=O)(=O)c2cccc3cnccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.49
HRH2 P25021 5/20 0.44
HRH1 P35367 5/20 0.44
HRH3 Q9Y5N1 9/20 0.43
KDM4E B2RXH2 1/20 0.41
PKLR P30613 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40

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
SCHEMBL5217442 0.85 HRH2 (0.49) HRH2HRH1HRH3
SCHEMBL5220966 0.81 P2RX7 (0.49) P2RX7HRH2HRH1HRH3PKLR
SCHEMBL5220974 0.78 P2RX7 (0.49) P2RX7HRH2HRH1HRH3PRKD3
SCHEMBL5213823 0.77 HRH2 (0.51) HRH2HRH1HRH3
SCHEMBL5215001 0.77 HRH2 (0.57) HRH2HRH1HRH3KDM4E
SCHEMBL5213475 0.77 HRH2 (0.45) HRH2HRH1HRH3KDM4E
SCHEMBL5216544 0.76 KDM4E (0.51) HRH2HRH1HRH3KDM4E
SCHEMBL5215408 0.75 HRH2 (0.69) HRH2HRH1HRH3KDM4E
SCHEMBL5213814 0.75 HRH2 (0.69) HRH2HRH1HRH3KDM4E
SCHEMBL5217290 0.74 HRH2 (0.52) HRH2HRH1HRH3KDM4E

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 P2RX7 250/4885HRH2 4/4885HRH1 3/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 P2RX7 250/4885HRH2 4/4885HRH1 3/4885

“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.