SCHEMBL3496759

SCHEMBL3496759

C[C@H]1CCCN1Cc1coc(-c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.51
ALDH1A1 P00352 5/20 0.49
PDE6D O43924 2/20 0.49
ALDH2 P05091 1/20 0.49
ALDH3A1 P30838 1/20 0.49
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
CNR2 P34972 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
HRH3 Q9Y5N1 6/20 0.45
SPHK1 Q9NYA1 1/20 0.43

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 1.00 TP53 (0.51) TP53ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL3497158 0.88 PRKACA (0.46) TP53ALDH1A1HTTKDM4EHRH3
SCHEMBL3497802 0.86 ADAMTS4 (0.40) TP53MAPTDRD2DRD4DRD3
SCHEMBL3496106 0.86 ADAMTS4 (0.40) TP53MAPTDRD2DRD4DRD3
SCHEMBL3496157 0.84 DRD2 (0.60) TP53ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL3496467 0.83 DRD2 (0.58) TP53ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL3497133 0.83 DRD2 (0.58) TP53ALDH1A1PDE6DALDH2ALDH3A1
SCHEMBL3497795 0.82 CYP11B1 (0.47) HTTSMN1; SMN2LMNANPSR1DRD2
SCHEMBL3495753 0.82 CYP11B1 (0.47) HTTSMN1; SMN2LMNANPSR1DRD2
SCHEMBL3496672 0.82 CYP11B1 (0.47) HTTSMN1; SMN2LMNANPSR1DRD2

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
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO 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 TP53 4876/4885ALDH1A1 1047/4885PDE6D 3114/4885

“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.