SCHEMBL3757409

SCHEMBL3757409

Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccccc2)C(=O)Nc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 5/20 0.67
DCUN1D1 Q96GG9 5/20 0.67
CCR5 P51681 14/20 0.66
KCNH2 Q12809 4/20 0.62
LMNA P02545 1/20 0.55

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
SCHEMBL13171413 1.00 UBE2M (0.67) UBE2MDCUN1D1CCR5KCNH2LMNA
SCHEMBL3765239 0.96 CCR5 (0.65) UBE2MDCUN1D1CCR5KCNH2
SCHEMBL3765311 0.91 CCR5 (0.68) UBE2MDCUN1D1CCR5KCNH2
SCHEMBL13878217 0.91 CCR5 (0.68) UBE2MDCUN1D1CCR5KCNH2
SCHEMBL13192591 0.90 CCR5 (0.67) UBE2MDCUN1D1CCR5KCNH2
SCHEMBL13081247 0.90 CCR5 (0.67) UBE2MDCUN1D1CCR5KCNH2
SCHEMBL13081249 0.89 CCR5 (0.67) UBE2MDCUN1D1CCR5KCNH2
SCHEMBL3755242 0.88 CCR5 (0.73) UBE2MDCUN1D1CCR5KCNH2
SCHEMBL3755235 0.88 CCR5 (0.73) UBE2MDCUN1D1CCR5KCNH2
SCHEMBL3763555 0.88 CCR5 (0.66) UBE2MDCUN1D1CCR5KCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 UBE2M 4562/4885DCUN1D1 3581/4885CCR5 1/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 UBE2M 4562/4885DCUN1D1 3581/4885CCR5 1/4885

“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.