SCHEMBL4242736

SCHEMBL4242736

C[C@H](CC(N)=O)N1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.49
EPHX1 P07099 2/20 0.47
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4236025 0.86 ALDH1A1 (0.53) EPHX2UBE2MDCUN1D1KMT2AMAPT
SCHEMBL4243366 0.86 ALDH1A1 (0.53) EPHX2UBE2MDCUN1D1KMT2AMAPT
SCHEMBL4244477 0.85 EPHX2 (0.49) EPHX2UBE2MDCUN1D1
SCHEMBL4238867 0.84 MAPT (0.62) MAPT
SCHEMBL4242742 0.83 UBE2M (0.46) EPHX2EPHX1UBE2MDCUN1D1
SCHEMBL4244419 0.82 ALDH1A1 (0.42) MAPT
SCHEMBL4240584 0.82 CCR5 (0.42) EPHX2UBE2MDCUN1D1KMT2AMEN1
SCHEMBL4247940 0.82 POLB (0.52) EPHX2UBE2MDCUN1D1MAPT
SCHEMBL4249067 0.80 EPHX2 (0.46) EPHX2EPHX1UBE2MDCUN1D1
SCHEMBL4249075 0.80 EPHX2 (0.46) EPHX2EPHX1UBE2MDCUN1D1

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-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 EPHX2 1935/4885EPHX1 1384/4885UBE2M 4562/4885

“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.