SCHEMBL2796876

SCHEMBL2796876

COc1cc(OCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c(N)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MLNR O43193 2/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
FKBP1A P62942 1/20 0.41

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 0.85 KDM4E (0.48) EPHX2KMT2AMEN1HTTNPSR1
SCHEMBL6441529 0.84 EPHX2 (0.54) EPHX2KMT2AMEN1HTTNPSR1
SCHEMBL2795216 0.82 KDM4E (0.44) EPHX2KMT2AMEN1HTTNPSR1
SCHEMBL13282788 0.81 KMT2A (0.45) EPHX2KMT2AMEN1HTTMLNR
SCHEMBL6443342 0.77 POLB (0.60) EPHX2KMT2AMEN1HTTMLNR
SCHEMBL6442744 0.77 EPHX2 (0.52) EPHX2KMT2AMEN1HTTNPSR1
SCHEMBL3467491 0.76 HRH1 (0.40) EPHX2SMN1; SMN2
SCHEMBL2798799 0.75 CCR1 (0.58) EPHX2KMT2AMEN1HTTNPSR1
SCHEMBL6442642 0.74 CCR1 (0.55) EPHX2KMT2AMEN1HTTNPSR1
SCHEMBL6439747 0.74 KDM4E (0.65) EPHX2KMT2AMEN1HTTNPSR1

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
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
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 EPHX2 1225/4885KMT2A 4409/4885MEN1 4235/4885

“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.