SCHEMBL2890458

SCHEMBL2890458

O=c1cc(O)ccn1-c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.68
KCNH2 Q12809 10/20 0.68
HRH3 Q9Y5N1 3/20 0.64
MAPK14 Q16539 2/20 0.61
APP P05067 1/20 0.58
PSMB1 P20618 1/20 0.56
PSMB5 P28074 1/20 0.56
PSMB2 P49721 1/20 0.56

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
SCHEMBL2895511 0.99 MCHR1 (0.68) MCHR1KCNH2HRH3MAPK14APP
SCHEMBL31573862 0.83 MCHR1 (0.68) MCHR1KCNH2HRH3MAPK14APP
SCHEMBL2891930 0.83 MCHR1 (0.58) MCHR1KCNH2HRH3MAPK14APP
SCHEMBL2891931 0.83 MCHR1 (0.58) MCHR1KCNH2HRH3MAPK14APP
SCHEMBL2891115 0.81 MCHR1 (0.82) MCHR1KCNH2HRH3MAPK14
SCHEMBL1753676 0.81 MCHR1 (1.00) MCHR1KCNH2HRH3
SCHEMBL2895116 0.81 MCHR1 (0.81) MCHR1KCNH2HRH3
SCHEMBL28783630 0.81 HRH3 (0.87) MCHR1KCNH2HRH3MAPK14APP
SCHEMBL1002648 0.80 MCHR1 (0.53) MCHR1KCNH2HRH3
Hydrochloric Acid SCHEMBL30701784 0.80 HRH3 (0.85) MCHR1KCNH2HRH3MAPK14APP

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-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR MCHR1 535/4885KCNH2 1619/4885HRH3 28/4885

“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.