SCHEMBL3497802

SCHEMBL3497802

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.40
MMP12 P39900 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
CFTR P13569 1/20 0.39
CYP2D6 P10635 6/20 0.39
HRH1 P35367 6/20 0.39
KCNH2 Q12809 4/20 0.39
CHRM1 P11229 3/20 0.39
HRH3 Q9Y5N1 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL3496106 1.00 ADAMTS4 (0.40) ADAMTS4MMP12ADAM17ADAMTS5DRD2
SCHEMBL3496759 0.86 TP53 (0.51) DRD2DRD4DRD3HRH3TP53
SCHEMBL3497905 0.86 TP53 (0.51) DRD2DRD4DRD3HRH3TP53
SCHEMBL3498439 0.84 DRD2 (0.51) DRD2DRD4DRD3CYP2D6HRH1
SCHEMBL3498762 0.84 DRD2 (0.51) DRD2DRD4DRD3CYP2D6HRH1
SCHEMBL3497795 0.80 CYP11B1 (0.47) DRD2DRD4DRD3HRH3
SCHEMBL3495753 0.80 CYP11B1 (0.47) DRD2DRD4DRD3HRH3
SCHEMBL3496672 0.80 CYP11B1 (0.47) DRD2DRD4DRD3HRH3
SCHEMBL3497158 0.79 PRKACA (0.46) KCNH2HRH3TP53
SCHEMBL3498580 0.78 CYP11B1 (0.47) DRD2DRD4DRD3HRH3

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 4 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
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 ADAMTS4 3627/4885MMP12 3394/4885ADAM17 2755/4885

“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.