SCHEMBL8079145

SCHEMBL8079145

Cn1c(CN2CCCC2)cnc1Br

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
LTA4H P09960 1/20 0.35
PTGS2 P35354 1/20 0.35
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL3497064 0.76 CYP11B1 (0.57) HRH3LTA4HSIGMAR1
SCHEMBL3496457 0.73 SIGMAR1 (0.56) HRH3LTA4HSIGMAR1
SCHEMBL21978985 0.71 CYP2C19 (0.41) HRH3CHRNB2CHRNA4MBTD1L3MBTL3
SCHEMBL3533637 0.71 HRH3 (0.52) HRH3
SCHEMBL25239515 0.71
SCHEMBL3497311 0.70 CYP11B1 (0.42) LTA4HSMN1; SMN2SIGMAR1
SCHEMBL4657901 0.70 HRH3 (0.50) HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL4659048 0.69 HRH3 (0.54) HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL3498748 0.68 ALDH1A1 (0.38) CHRNB2CHRNA4L3MBTL1SMN1; SMN2TDP1
Fumaric Acid SCHEMBL3497880 0.68 CYP11B1 (0.48) HRH3SMN1; SMN2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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 (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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885CHRNB2 127/4885CHRNA4 100/4885

“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.