SCHEMBL5214535

SCHEMBL5214535

NC1CCCN1CCCOc1ccc(-c2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.57
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KCNH2 Q12809 2/20 0.48
HTR3A P46098 4/20 0.48
CHRM2 P08172 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL5592170 0.85 HRH3 (0.59) HRH3CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL7092337 0.79 HRH3 (0.69) HRH3CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5218075 0.75 HRH3 (0.50) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL5214957 0.75 HRH3 (0.53) HRH3CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5217186 0.74 HRH3 (0.49) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL5219017 0.73 HRH3 (0.51) HRH3CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL1375928 0.73 HRH3 (1.00) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL1375936 0.73 HRH3 (1.00) HRH3KCNH2HTR3ACHRM2SLC6A2
SCHEMBL5214173 0.73 HRH3 (0.51) HRH3CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL240235 0.73 HRH3 (0.62) HRH3KCNH2HTR3ACHRM2SLC6A2

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 7 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 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
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP 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
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO 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 HRH3 1/4885CYP1A2 1588/4885CYP2D6 1627/4885
US-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885CYP1A2 1588/4885CYP2D6 1627/4885

“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.