SCHEMBL3757890

SCHEMBL3757890

CC(CC(N)=O)N1CCC(N(Cc2ccsc2)C(=O)Cc2ccsc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.46
KCNH2 Q12809 7/20 0.46
SIGMAR1 Q99720 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41

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
SCHEMBL3764543 0.91 CCR5 (0.49) CCR5KCNH2
SCHEMBL3749978 0.89 CCR5 (0.58) CCR5KCNH2OPRM1
SCHEMBL3757893 0.88 CCR5 (0.50) CCR5KCNH2SIGMAR1OPRM1OPRD1
SCHEMBL3766010 0.87 CCR5 (0.48) CCR5KCNH2
SCHEMBL3755060 0.86 CCR5 (0.43) CCR5KCNH2SIGMAR1
SCHEMBL3749922 0.85 CCR5 (0.60) CCR5KCNH2
SCHEMBL3767889 0.85 CCR5 (0.48) CCR5KCNH2
SCHEMBL3755267 0.85 CCR5 (0.44) CCR5KCNH2OPRM1OPRD1OPRK1
SCHEMBL3766176 0.84 CCR5 (0.44) CCR5KCNH2
SCHEMBL3763632 0.82 CCR5 (0.46) CCR5KCNH2OPRM1

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 3 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-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

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 CCR5 1/4885KCNH2 4679/4885SIGMAR1 890/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885KCNH2 4679/4885SIGMAR1 890/4885

“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.