SCHEMBL4249075

SCHEMBL4249075

CC(CC#N)N1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.46
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
EPHX1 P07099 2/20 0.41
KCNH2 Q12809 1/20 0.40
SCN9A Q15858 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 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
SCHEMBL4249067 1.00 EPHX2 (0.46) EPHX2UBE2MDCUN1D1EPHX1KCNH2
SCHEMBL4237627 0.86 CCR6 (0.50) UBE2MDCUN1D1CTSLCTSSCTSK
SCHEMBL4237633 0.86 CCR6 (0.50) UBE2MDCUN1D1CTSLCTSSCTSK
SCHEMBL4250769 0.85 SYK (0.39)
SCHEMBL4250765 0.85 SYK (0.39)
SCHEMBL4241972 0.84 MAPT (0.55)
SCHEMBL4241975 0.84 MAPT (0.55)
SCHEMBL4242742 0.83 UBE2M (0.46) EPHX2UBE2MDCUN1D1EPHX1
SCHEMBL4250664 0.80 CARM1 (0.48) UBE2MDCUN1D1
SCHEMBL4250673 0.80 CARM1 (0.48) 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 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 1935/4885UBE2M 4562/4885DCUN1D1 3581/4885

“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.