SCHEMBL5838883

SCHEMBL5838883

Brc1ccc2cc(CCCN3CCCC3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.58
SIGMAR1 Q99720 4/20 0.52
DRD2 P14416 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
LTA4H P09960 1/20 0.50
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TERT O14746 2/20 0.47
HRH1 P35367 1/20 0.46

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
SCHEMBL2326201 0.83 LTA4H (0.64) HRH3SIGMAR1DRD2SLC6A4SLC6A3
SCHEMBL5437780 0.81 SLC6A3 (0.67) HRH3SIGMAR1DRD2SLC6A4SLC6A3
SCHEMBL18917604 0.77 LTA4H (0.75) HRH3SIGMAR1DRD2SLC6A4SLC6A3
SCHEMBL4090273 0.76 ATM (0.68) HRH3SLC6A4ATML3MBTL1
SCHEMBL18917601 0.74 SLC6A3 (0.77) HRH3SIGMAR1DRD2SLC6A4SLC6A3
SCHEMBL15351939 0.73 CYP2A6 (0.43) SIGMAR1SLC6A3L3MBTL1
SCHEMBL15352151 0.73 CYP2A6 (0.43) SIGMAR1L3MBTL1
SCHEMBL5855257 0.73 CYP2A6 (0.43) SIGMAR1LTA4HL3MBTL1
SCHEMBL8780108 0.73 ATM (0.59) HRH3SLC6A4LTA4HATML3MBTL1
SCHEMBL2452213 0.73 HRH3 (0.70) HRH3SIGMAR1SLC6A4SLC6A3HRH1

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-7145005-B2 2-(6-{2-[(2R)-2-Methyl-1-pyrrolidin-1-yl]-ethyl}-2-naphthalen-2-yl)-2H-pyridazin-3-one salts and their preparation ABBOTT LABORATORIES (US) 2006-12-05 US claimed
US-20050256127-A1 2-(6-{2-[(2R)-2-methyl-1-pyrrolidin-1-yl]-ethyl}-2-naphthalen-2-yl)-2H-pyridazin-3-one salts and their preparation ABBVIE INC. 2005-11-17 US claimed

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-20050256127-A1 2-(6-{2-[(2R)-2-methyl-1-pyrrolidin-1-yl]-ethyl}-2-naphthalen-2-yl)-2H-pyridazin-3-one salts and their preparation H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2J2, NUP188 HRH3 3738/4885SIGMAR1 3180/4885DRD2 1946/4885

“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.