SCHEMBL3666051

SCHEMBL3666051

CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cnc4ccccc43)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 1.00
KCNH2 Q12809 1/20 0.61
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PTAFR P25105 1/20 0.48
LMNA P02545 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3722330 0.95 HRH3 (0.90) HRH3KCNH2HDAC1HDAC6PTAFR
SCHEMBL3667887 0.94 HRH3 (0.89) HRH3KCNH2HDAC1HDAC6PTAFR
SCHEMBL3724889 0.93 HRH3 (0.87) HRH3KCNH2
SCHEMBL3669011 0.88 HRH3 (0.79) HRH3KCNH2
SCHEMBL3723751 0.88 HRH3 (0.79) HRH3KCNH2PTAFR
SCHEMBL3665850 0.88 HRH3 (0.79) HRH3KCNH2
SCHEMBL3725673 0.88 HRH3 (0.79) HRH3KCNH2PTAFRSMN1; SMN2
SCHEMBL3669015 0.88 HRH3 (0.79) HRH3KCNH2
SCHEMBL3725670 0.88 HRH3 (0.79) HRH3KCNH2PTAFRSMN1; SMN2
SCHEMBL3723754 0.88 HRH3 (0.79) HRH3KCNH2PTAFR

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 581/4885HDAC1 482/4885

“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.