SCHEMBL3497158

SCHEMBL3497158

C[C@H]1CCCN1Cc1coc(-c2ccc(-c3nc4ccccc4n3CC3CCC3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.46
RPS6KB1 P23443 2/20 0.46
GSK3B P49841 2/20 0.46
ROCK1 Q13464 2/20 0.46
BRD4 O60885 9/20 0.41
BAZ2A Q9UIF9 3/20 0.40
MYC P01106 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGER4 P35408 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
KCNH2 Q12809 1/20 0.38
ALOX5 P09917 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38

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
SCHEMBL3497905 0.88 TP53 (0.51) KDM4EALDH1A1TP53HTTSPHK1
SCHEMBL3496759 0.88 TP53 (0.51) KDM4EALDH1A1TP53HTTSPHK1
SCHEMBL3496085 0.86 PRKACA (0.48) PRKACARPS6KB1GSK3BROCK1BRD4
SCHEMBL3497802 0.79 ADAMTS4 (0.40) TP53KCNH2HRH3
SCHEMBL3496106 0.79 ADAMTS4 (0.40) TP53KCNH2HRH3
SCHEMBL23644638 0.78 KMT2A (0.57) ALDH1A1HRH3
SCHEMBL3496393 0.77 HTT (0.41) KDM4EALDH1A1HTTHRH3
SCHEMBL3495753 0.76 CYP11B1 (0.47) TSHRHTTHRH3
SCHEMBL3497795 0.76 CYP11B1 (0.47) TSHRHTTHRH3
SCHEMBL3496672 0.76 CYP11B1 (0.47) TSHRHTTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 PRKACA 2930/4885RPS6KB1 2448/4885GSK3B 4006/4885

“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.