SCHEMBL4239109

SCHEMBL4239109

CC(CCN)N1CCC(C2(c3ccccc3-c3ccc(C(F)(F)F)cc3)OC=CO2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.41
UBE2M P61081 4/20 0.35
DCUN1D1 Q96GG9 4/20 0.35
KLRK1 P26718 1/20 0.32
MICA Q29983 1/20 0.32
ADAMTS7 Q9UKP4 1/20 0.32
DRD2 P14416 1/20 0.32
CHRM3 P20309 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
MC4R P32245 1/20 0.31

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
SCHEMBL4245518 0.88 UBE2M (0.37) CCR5UBE2MDCUN1D1CHRM3MC4R
SCHEMBL4247925 0.88 CCR5 (0.36) CCR5UBE2MDCUN1D1
SCHEMBL4242886 0.88 CCR5 (0.36) CCR5UBE2MDCUN1D1
SCHEMBL4244926 0.87 UBE2M (0.33) CCR5UBE2MDCUN1D1
SCHEMBL4243373 0.87 SIGMAR1 (0.36) CCR5UBE2MDCUN1D1CHRM3
SCHEMBL4240155 0.86 CCR5 (0.41) CCR5UBE2MDCUN1D1KLRK1MICA
SCHEMBL4236436 0.86
SCHEMBL4244329 0.86 KMT2A (0.36) UBE2MDCUN1D1
SCHEMBL4240052 0.85
SCHEMBL4236297 0.84 PTGS2 (0.36)

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 CCR5 1/4885UBE2M 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.