SCHEMBL4945931

SCHEMBL4945931

COc1ccc2nc(C)n(Cc3ccc(C(=O)N(C)[C@@H]4CCN(C(C)C)C4)cc3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.76
KCNH2 Q12809 2/20 0.57
PTAFR P25105 1/20 0.54
RHEB Q15382 1/20 0.44
DCTPP1 Q9H773 2/20 0.43
MCHR1 Q99705 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
BRD4 O60885 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
SCHEMBL4945938 1.00 HRH3 (0.76) HRH3KCNH2PTAFRRHEBDCTPP1
SCHEMBL3672057 0.95 HRH3 (0.68) HRH3KCNH2PTAFRDCTPP1MCHR1
SCHEMBL3671973 0.93 HRH3 (0.76) HRH3KCNH2PTAFRRHEBDCTPP1
SCHEMBL3671976 0.93 HRH3 (0.76) HRH3KCNH2PTAFRRHEBDCTPP1
SCHEMBL3725296 0.90 HRH3 (0.81) HRH3KCNH2PTAFR
SCHEMBL3725291 0.90 HRH3 (0.81) HRH3KCNH2PTAFR
SCHEMBL3669116 0.89 HRH3 (0.79) HRH3KCNH2PTAFRF2F10
SCHEMBL3669119 0.89 HRH3 (0.79) HRH3KCNH2PTAFRF2F10
SCHEMBL3727908 0.88 HRH3 (0.68) HRH3KCNH2PTAFRDCTPP1MCHR1
SCHEMBL3735543 0.86 HRH3 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 581/4885PTAFR 841/4885

“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.