SCHEMBL3631388

SCHEMBL3631388

COc1ccc2c(c1)ncn2Cc1ccc(C(=O)N(C)C2CCN(C(C)C)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.67
MCHR1 Q99705 2/20 0.43
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.41
BRD4 O60885 1/20 0.41
F10 P00742 1/20 0.41
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL3726432 0.95 HRH3 (0.75) HRH3MCHR1EPHX2PPARGKCNH2
SCHEMBL3726435 0.95 HRH3 (0.75) HRH3MCHR1EPHX2PPARGKCNH2
SCHEMBL4941464 0.93 HRH3 (0.67) HRH3MCHR1MEN1GAATSHR
SCHEMBL3729782 0.89 HRH3 (0.62) HRH3MCHR1MEN1GAATSHR
SCHEMBL3725346 0.89 HRH3 (0.70) HRH3PPARGKCNH2BRD4
SCHEMBL3723111 0.89 HRH3 (0.70) HRH3PPARGHTTKCNH2BRD4
SCHEMBL3803363 0.88 HRH3 (0.75) HRH3MCHR1KCNH2BRD4
SCHEMBL3803362 0.88 HRH3 (0.75) HRH3MCHR1KCNH2BRD4
SCHEMBL3667887 0.86 HRH3 (0.89) HRH3HTTKCNH2
SCHEMBL4944022 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 6 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
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO disclosed
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 2/4885MCHR1 401/4885EPHX2 569/4885

“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.