SCHEMBL4242936

SCHEMBL4242936

CC(CC(N)=O)N1CCC(N(Cc2cc(Cl)ccc2F)c2ccc(S(N)(=O)=O)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.40
PGR P06401 4/20 0.39
CYP2C9 P11712 4/20 0.39
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
CYP2D6 P10635 3/20 0.39
KCNH2 Q12809 2/20 0.39
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HTR2A P28223 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL4248482 0.88 CCR5 (0.41) CCR5PGRCYP2C9UBE2MDCUN1D1
SCHEMBL4242938 0.88 CCR5 (0.41) CCR5PGRCYP2C9UBE2MDCUN1D1
SCHEMBL4241358 0.88 CCR5 (0.41) CCR5PGRCYP2C9UBE2MDCUN1D1
SCHEMBL4244823 0.87 UBE2M (0.45) CCR5UBE2MDCUN1D1
SCHEMBL4236874 0.87 CCR5 (0.47) CCR5KCNH2HTR2A
SCHEMBL4238954 0.86 CCR5 (0.48) CCR5PGRCYP2C9CYP2D6KCNH2
SCHEMBL4242432 0.86 CCR5 (0.48) CCR5PGRCYP2C9UBE2MDCUN1D1
SCHEMBL4236938 0.85 UBE2M (0.42) CCR5PGRCYP2C9UBE2MDCUN1D1
SCHEMBL4236049 0.84 UBE2M (0.42) CCR5PGRCYP2C9UBE2MDCUN1D1
SCHEMBL4248423 0.83 PGR (0.40) CCR5PGRCYP2C9UBE2MDCUN1D1

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 7 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 claimed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed
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 1/4885PGR 976/4885CYP2C9 4329/4885

“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.