SCHEMBL22987134

SCHEMBL22987134

CCC(CC)(NC(=O)c1cc(C)c(N)c(C)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
CNR2 P34972 5/20 0.33
CNR1 P21554 2/20 0.33
PYGL P06737 1/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
PLEC Q15149 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 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
SCHEMBL22987084 0.85 CNR2 (0.37) KDM4ECNR2CNR1HTTL3MBTL1
SCHEMBL22987071 0.84 ESR1 (0.40) KDM4EHTTALDH1A1MAPTGAA
SCHEMBL22987140 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL22987130 0.77 HDAC1 (0.42) KDM4ECNR2CNR1ALDH1A1MAPT
SCHEMBL8048655 0.74 HTT (0.33) HTTL3MBTL1ALDH1A1POLBCYP2C19
SCHEMBL1005961 0.70 HDAC6 (0.43) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL8058888 0.68 HTT (0.31) HTTL3MBTL1
SCHEMBL15262659 0.68 MAPK14 (0.44) CNR2HTTMAPTPOLBCYP2C9
SCHEMBL3935810 0.68 MEN1 (0.44) KDM4EMAPTGAAPOLBCYP1A2
SCHEMBL3935814 0.68 MEN1 (0.44) KDM4EMAPTGAAPOLBCYP1A2

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
EP-3586838-B1 AMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
EP-3586838-B1 AMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
US-10925848-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-02-23 US disclosed
US-10925848-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-02-23 US disclosed
CN-110325184-A Amide derivatives 第一三共株式会社 2019-10-11 CN 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-10925848-B2 Amide derivative IDO1, IDO2, TPH1 KDM4E 2941/4885CNR2 102/4885CNR1 88/4885

“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.