SCHEMBL3497349

SCHEMBL3497349

COc1ccc2c(c1)ncn2Cc1ccc(-c2nc(CN3CCC[C@@H]3C)co2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.43
BRD4 O60885 3/20 0.43
QPCTL Q9NXS2 2/20 0.43
HRH3 Q9Y5N1 10/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
F10 P00742 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3498078 1.00 QPCT (0.43) QPCTBRD4QPCTLHRH3ABCB1
SCHEMBL3494843 0.93 BRD4 (0.47) QPCTBRD4QPCTLHRH3ABCB1
SCHEMBL3497816 0.93 BRD4 (0.47) QPCTBRD4QPCTLHRH3ABCB1
SCHEMBL3497690 0.89 BRD4 (0.41) BRD4HRH3KCNH2
SCHEMBL3496672 0.86 CYP11B1 (0.47) HRH3
SCHEMBL3495753 0.86 CYP11B1 (0.47) HRH3
SCHEMBL3497795 0.86 CYP11B1 (0.47) HRH3
SCHEMBL3497317 0.86 HRH3 (0.52) QPCTBRD4QPCTLHRH3ABCB1
SCHEMBL3497815 0.85 HRH3 (0.54) QPCTBRD4QPCTLHRH3ABCB1
SCHEMBL3496123 0.84 KMT2A (0.41) BRD4HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US claimed
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
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO 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 QPCT 1879/4885BRD4 1166/4885QPCTL 2690/4885

“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.