SCHEMBL3731377

SCHEMBL3731377

CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cnc4ccccc43)cc2F)C1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.75
KCNH2 Q12809 1/20 0.47
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
IDO1 P14902 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3731384 1.00 HRH3 (0.75) HRH3KCNH2LMNAHTTIDO1
SCHEMBL3727215 0.96 HRH3 (0.68) HRH3KCNH2LMNAHTTIDO1
SCHEMBL4945899 0.89 HRH3 (0.73) HRH3KCNH2LMNAHTTCYP11B1
SCHEMBL3726628 0.89 HRH3 (0.73) HRH3KCNH2LMNAHTTCYP11B1
SCHEMBL3666051 0.86 HRH3 (1.00) HRH3KCNH2LMNAHTTCYP11B1
SCHEMBL3721426 0.86 HRH3 (0.76) HRH3KCNH2
SCHEMBL4944036 0.86 HRH3 (0.76) HRH3KCNH2
SCHEMBL4937192 0.85 HRH3 (0.65) HRH3KCNH2LMNAHTTCYP11B1
SCHEMBL3725310 0.84 HRH3 (0.76) HRH3KCNH2
SCHEMBL3725313 0.84 HRH3 (0.76) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP claimed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO claimed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 US claimed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 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-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885KCNH2 581/4885LMNA 4465/4885

“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.