SCHEMBL6922149

SCHEMBL6922149

O=C(c1cc[c]cc1)C1CCN1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
ELANE P08246 1/20 0.33
SCN4A P35499 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL743847 0.91 ELANE (0.42) HRH2HRH1ELANESCN4ANOS3
SCHEMBL7289268 0.88 HTR2C (0.38) CYP2D6HRH2HRH1ELANESCN4A
SCHEMBL747207 0.87 CTSK (0.38) MEN1CYP2D6KMT2AHRH2HRH1
SCHEMBL28289372 0.80 CTSC (0.38)
SCHEMBL7408036 0.77 HSD11B1 (0.47)
SCHEMBL11716695 0.76 MEN1 (0.62) MEN1CYP2D6KMT2A
SCHEMBL232050 0.75 NPC1 (0.47) MEN1CYP2D6KMT2A
SCHEMBL11710930 0.73 CYP2D6 (0.50) MEN1CYP2D6KMT2A
SCHEMBL2989814 0.73 PLK1 (0.44) MEN1CYP2D6KMT2A
SCHEMBL5214996 0.72 SRD5A2 (0.55) MEN1CYP2D6KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515013-B2 For diseases or conditions caused by or exacerbated by histamine-3 receptor activity ABBOTT LABORATORIES 2003-02-04 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 (1 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-20020035103-A1 1,3-Disubstituted and 1,3,3-trisubstituted pyrrolidines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 MEN1 1992/4885CYP2D6 1627/4885KMT2A 2791/4885

“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.