SCHEMBL2881804

SCHEMBL2881804

CCN(CC)Cc1ccc(CCn2cccc(Oc3ccc(OC(F)(F)F)cc3)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.48
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
SLC6A2 P23975 2/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
TRPA1 O75762 1/20 0.39
CNR2 P34972 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL2881116 0.90 MCHR1 (0.48) MCHR1MMP2MMP9HDAC3HDAC4
SCHEMBL2876542 0.85 MCHR1 (0.48) MCHR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12963728 0.71 TSHR (0.53) SLC6A4SLC6A3SLC6A2CNR2
SCHEMBL13019769 0.65 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2881979 0.65 MCHR1 (1.00) MCHR1
SCHEMBL14376823 0.65 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2CNR2
SCHEMBL14376814 0.64 SLC6A4 (0.48) SLC6A4SLC6A3
SCHEMBL2897379 0.64 LIPG (0.45) SLC6A4SLC6A3SLC6A2MMP2
SCHEMBL8513609 0.63 LTA4H (0.49) SLC6A4SLC6A3SLC6A2HDAC3HDAC1
SCHEMBL13070308 0.63 PRMT6 (0.51) MCHR1SLC6A4SLC6A3SLC6A2CNR2

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 4/4885SLC6A4 1848/4885SLC6A3 1464/4885

“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.