SCHEMBL5183453

SCHEMBL5183453

O=C1CNC(=O)N1Cc1cccc(C#CCCOCCCCCCBr)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
HRH3 Q9Y5N1 6/20 0.36
KMT2A Q03164 1/20 0.36
TNKS O95271 1/20 0.35
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL5180793 0.82 AR (0.32)
SCHEMBL5181473 0.78 PTPN2 (0.33)
SCHEMBL5182190 0.78 AR (0.32)
SCHEMBL5183149 0.77 PPARG (0.36) KMT2A
SCHEMBL5182621 0.76 HRH3 (0.37) HRH3
SCHEMBL5181018 0.75 MEN1 (0.34) HRH3KMT2A
SCHEMBL5184166 0.72 ALDH1A1 (0.39) HRH3
SCHEMBL5181022 0.72 ALDH1A1 (0.39) HRH3
SCHEMBL5181857 0.72 AR (0.32)
SCHEMBL5183995 0.71 HRH3 (0.31) HRH3

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
EP-1366025-B1 AGONISTS OF BETA-ADRENORECEPTORS GLAXO GROUP LTD (GB) 2007-06-27 EP disclosed
US-7144908-B2 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2006-12-05 US disclosed
US-20040242890-A1 Agonists of beta-adrenoceptors GLAXO GROUP LIMITED (GB) 2004-12-02 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-20040242890-A1 Agonists of beta-adrenoceptors ADRB1, ADRB2, ADRA1A GSK3A 1844/4885GSK3B 1799/4885HRH3 218/4885

“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.