SCHEMBL2881383

SCHEMBL2881383

O=c1cc(-c2ccc3ccccc3c2)ccn1CCc1ccc(CN2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.55
HRH3 Q9Y5N1 4/20 0.50
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHKA P35790 1/20 0.45
KMT2A Q03164 1/20 0.45
KDR P35968 3/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL1365521 0.80 MCHR1 (0.57) MCHR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL2883772 0.78 MCHR1 (0.56) MCHR1HRH3
SCHEMBL1367169 0.78 MCHR1 (0.65) MCHR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL1364747 0.77 MCHR1 (0.63) MCHR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL1364816 0.76 MCHR1 (0.82) MCHR1HRH3
SCHEMBL6224972 0.76 HSP90AB1 (0.51) MCHR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL10205757 0.75 MCHR1 (0.53) MCHR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL1364977 0.73 MCHR1 (0.51) MCHR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL1367251 0.72 MCHR1 (0.74) MCHR1
SCHEMBL1365779 0.72 MCHR1 (0.68) MCHR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R MCHR1 4/4885HRH3 208/4885MBTD1 572/4885

“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.