SCHEMBL3496891

SCHEMBL3496891

C[C@@H]1CCCN1Cc1coc(-c2ccc(Cn3ncc4ccccc43)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
HRH3 Q9Y5N1 11/20 0.41
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.37
PTAFR P25105 1/20 0.35

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
SCHEMBL3496126 1.00 RECQL (0.44) RECQLDRD2DRD4DRD3HRH3
SCHEMBL3497993 0.87 HRH3 (0.39) DRD2DRD4DRD3HRH3ALDH1A1
SCHEMBL3498749 0.87 BRD4 (0.39) DRD2DRD4DRD3HRH3ALDH1A1
SCHEMBL3496267 0.87 BRD4 (0.39) DRD2DRD4DRD3HRH3ALDH1A1
SCHEMBL3498759 0.87 HRH3 (0.39) DRD2DRD4DRD3HRH3ALDH1A1
SCHEMBL3497148 0.83 DRD2 (0.57) RECQLDRD2DRD4DRD3HRH3
SCHEMBL3496672 0.80 CYP11B1 (0.47) DRD2DRD4DRD3HRH3
SCHEMBL3497795 0.80 CYP11B1 (0.47) DRD2DRD4DRD3HRH3
SCHEMBL3495753 0.80 CYP11B1 (0.47) DRD2DRD4DRD3HRH3
SCHEMBL3496759 0.79 TP53 (0.51) DRD2DRD4DRD3HRH3ALDH1A1

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 RECQL 2351/4885DRD2 419/4885DRD4 1020/4885

“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.