SCHEMBL3496457

SCHEMBL3496457

Cn1c(CN2CCCC2)cnc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
CHKA P35790 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
LTA4H P09960 2/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACHE P22303 2/20 0.44
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
DCTPP1 Q9H773 1/20 0.42

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 0.97 CYP11B1 (0.57) SIGMAR1CYP11B1CYP11B2CHKATMEM97
Fumaric Acid SCHEMBL3496670 0.90 SIGMAR1 (0.47) SIGMAR1CYP11B1CYP11B2CHKATMEM97
Fumaric Acid SCHEMBL3496666 0.90 SIGMAR1 (0.47) SIGMAR1CYP11B1CYP11B2CHKATMEM97
Fumaric Acid SCHEMBL3497884 0.87 CYP11B1 (0.48) SIGMAR1CYP11B1CYP11B2TMEM97DRD2
Fumaric Acid SCHEMBL3497880 0.87 CYP11B1 (0.48) SIGMAR1CYP11B1CYP11B2TMEM97DRD2
SCHEMBL3497311 0.86 CYP11B1 (0.42) SIGMAR1CYP11B1CYP11B2TMEM97LTA4H
SCHEMBL3496699 0.82 HRH3 (0.48) SIGMAR1CYP11B1CYP11B2HRH3HRH1
SCHEMBL6860719 0.81 ALDH1A1 (0.58) CYP11B1CYP11B2DRD2DRD3
SCHEMBL3497636 0.81 HTT (0.46) SIGMAR1CYP11B1CYP11B2HRH3
SCHEMBL7032518 0.79 CCR3 (0.56) SIGMAR1CYP11B1CYP11B2TMEM97KCNH2

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-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP claimed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP 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 SIGMAR1 238/4885CYP11B1 2926/4885CYP11B2 2281/4885

“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.