SCHEMBL4540216

SCHEMBL4540216

Ic1ccc2cn(CCN3CCCC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.44
SIGMAR1 Q99720 7/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TERT O14746 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL4521756 0.88 MCHR1 (0.49) MCHR1SIGMAR1TERTCYP1A2CYP2D6
SCHEMBL5860485 0.82 ALDH1A1 (0.51) MCHR1HRH3TERTEHMT2EHMT1
SCHEMBL5861265 0.77 MAPT (0.57) MCHR1HRH3CYP2D6
SCHEMBL2328458 0.73 MCHR1 (0.49) MCHR1HDAC3HDAC1HDAC2
SCHEMBL2076279 0.73 MCHR1 (0.49) MCHR1TERTEHMT2EHMT1HDAC3
SCHEMBL5860787 0.72 MCHR1 (0.48) MCHR1TERTHDAC3HDAC1HDAC2
SCHEMBL521313 0.71 MAPT (0.49) MCHR1HDAC3HDAC1HDAC2
SCHEMBL31219820 0.69 IRAK4 (0.36)
SCHEMBL2076118 0.69 ALDH1A1 (0.50) MCHR1HRH3CYP2D6
SCHEMBL17794415 0.69 MAPT (0.61)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR MCHR1 357/4885SIGMAR1 1210/4885HRH3 137/4885

“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.