SCHEMBL3496699

SCHEMBL3496699

Cn1c(CN2CCCC2)cnc1-c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.48
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
SIGMAR1 Q99720 1/20 0.43
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 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
Fumaric Acid SCHEMBL3498395 0.90 FNTA (0.42) HRH3HRH2HRH1SIGMAR1
Fumaric Acid SCHEMBL3498393 0.90 FNTA (0.42) HRH3HRH2HRH1SIGMAR1
SCHEMBL3496457 0.82 SIGMAR1 (0.56) HRH3HRH1SIGMAR1CYP11B2CYP11B1
SCHEMBL3497311 0.82 CYP11B1 (0.42) SIGMAR1CYP11B2CYP11B1
SCHEMBL3497064 0.82 CYP11B1 (0.57) HRH3SIGMAR1CYP11B2CYP11B1
Fumaric Acid SCHEMBL3496666 0.74 SIGMAR1 (0.47) HRH3HRH1SIGMAR1CYP11B2CYP11B1
Fumaric Acid SCHEMBL3496670 0.74 SIGMAR1 (0.47) HRH3HRH1SIGMAR1CYP11B2CYP11B1
Fumaric Acid SCHEMBL3497880 0.73 CYP11B1 (0.48) HRH3HRH1SIGMAR1CYP11B2CYP11B1
Fumaric Acid SCHEMBL3497884 0.73 CYP11B1 (0.48) HRH3HRH1SIGMAR1CYP11B2CYP11B1
Fumaric Acid SCHEMBL3496686 0.73 MCHR1 (0.40) HRH3CYP11B2CYP11B1

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
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO claimed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US 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
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885HRH2 3/4885HRH1 4/4885

“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.