SCHEMBL2795216

SCHEMBL2795216

COc1cc(OCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c(NC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
EGFR P00533 1/20 0.40
MAPT P10636 1/20 0.39
MLNR O43193 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2796818 0.89 KDM4E (0.48) KDM4EEPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL2796876 0.82 EPHX2 (0.46) EPHX2KMT2AMEN1SMN1; SMN2MLNR
SCHEMBL2798015 0.75 KDM4E (0.47) KDM4EMAPTMLNRHRH1
SCHEMBL2798799 0.74 CCR1 (0.58) EPHX2KMT2AMEN1SMN1; SMN2GAA
SCHEMBL2795088 0.73 ALDH1A1 (0.52) KDM4EKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2797577 0.73 ALDH1A1 (0.52) KDM4EKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6443342 0.71 POLB (0.60) KDM4EEPHX2KMT2AMEN1SMN1; SMN2
SCHEMBL6441529 0.71 EPHX2 (0.54) EPHX2KMT2AMEN1SMN1; SMN2GAA
SCHEMBL26796779 0.70 HRH3 (0.48) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL6442744 0.69 EPHX2 (0.52) EPHX2KMT2AMEN1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 KDM4E 3087/4885EPHX2 1225/4885KMT2A 4409/4885

“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.