SCHEMBL4239228

SCHEMBL4239228

C[C@H](CCN)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
EPHX2 P34913 7/20 0.42
MLNR O43193 1/20 0.42
PHGDH O43175 1/20 0.41
TEAD1 P28347 3/20 0.41
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.40
CCR5 P51681 1/20 0.40
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39

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
SCHEMBL4242742 0.84 UBE2M (0.46) UBE2MDCUN1D1EPHX2
SCHEMBL4247943 0.83 POLB (0.56) UBE2MDCUN1D1RHOCRHOA
SCHEMBL4238740 0.83 UBE2M (0.41) UBE2MDCUN1D1EPHX2CCR5
SCHEMBL4244477 0.82 EPHX2 (0.49) UBE2MDCUN1D1EPHX2MLNRTEAD1
SCHEMBL4236028 0.81 ALDH1A1 (0.47) UBE2MDCUN1D1
SCHEMBL4240045 0.81 ALDH1A1 (0.47) UBE2MDCUN1D1
SCHEMBL4238870 0.79 MAPT (0.56)
SCHEMBL4586330 0.78 CARM1 (0.44) EPHX2MLNRPHGDHCYP2D6KCNH2
SCHEMBL4245557 0.77 UBE2M (0.48) UBE2MDCUN1D1EPHX2
SCHEMBL4240447 0.77 POLB (0.35) UBE2MDCUN1D1

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
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO 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 UBE2M 4562/4885DCUN1D1 3581/4885EPHX2 1935/4885

“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.