SCHEMBL4029300

SCHEMBL4029300

COc1cccc(C(=O)[C@H]2CN(CCN(C)S(C)(=O)=O)C[C@H](c3ccc[c]c3F)[C@H]2c2cccc(F)c2C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.36
KCNH2 Q12809 1/20 0.36
KDM2B Q8NHM5 8/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
DRD4 P21917 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 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
SCHEMBL4776307 0.87 KDM2B (0.37) MCHR1KDM2BKMT2AHTTDRD4
SCHEMBL13721097 0.86 KDM2B (0.37) MCHR1KCNH2KDM2BKMT2AHTT
SCHEMBL4022391 0.86 KDM2B (0.37) MCHR1KCNH2KDM2BKMT2AHTT
SCHEMBL4022390 0.86 KDM2B (0.37) MCHR1KCNH2KDM2BKMT2AHTT
SCHEMBL4022340 0.83 KDM1A (0.31) MCHR1KCNH2KDM2B
SCHEMBL4780092 0.82 KDM2B (0.43) KDM2BKMT2AHTTDRD4L3MBTL1
SCHEMBL4749161 0.80 KDM2B (0.38) MCHR1KCNH2KDM2BKMT2AHTT
SCHEMBL13721487 0.80 OPRM1 (0.35) MCHR1KCNH2KDM2BKMT2AMEN1
SCHEMBL4028045 0.80 OPRM1 (0.35) MCHR1KCNH2KDM2BKMT2AMEN1
SCHEMBL4028041 0.80 OPRM1 (0.35) MCHR1KCNH2KDM2BKMT2AMEN1

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 MCHR1 3670/4885KCNH2 3099/4885KDM2B 3090/4885

“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.