SCHEMBL3758664

SCHEMBL3758664

CC(C)(C)OC(=O)N1CCC(N2C(=O)N(C3CCOCC3)CC2c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.56
CCR4 P51679 2/20 0.51
KCNH2 Q12809 1/20 0.50
USP30 Q70CQ3 1/20 0.49
GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL3758660 1.00 CCR5 (0.56) CCR5CCR4KCNH2USP30GPR119
SCHEMBL4208132 0.90 CCR5 (0.69) CCR5CCR4KCNH2
SCHEMBL5572556 0.90 GPR119 (0.47) CCR5USP30GPR119
SCHEMBL5572558 0.90 GPR119 (0.47) CCR5USP30GPR119
SCHEMBL4598523 0.85 CCR5 (0.60) CCR5CCR4KCNH2
SCHEMBL5576348 0.85 CCR5 (0.57) CCR5USP30GPR119
SCHEMBL4597618 0.85 CCR5 (0.57) CCR5USP30GPR119
SCHEMBL4596495 0.83 GPR119 (0.49) CCR5KCNH2USP30GPR119
SCHEMBL4596490 0.83 GPR119 (0.49) CCR5KCNH2USP30GPR119
SCHEMBL5573931 0.82 GPR119 (0.48) USP30GPR119

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 4 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
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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 (3 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 1/4885CCR4 18/4885KCNH2 4679/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CCR5 1/4885CCR4 2/4885KCNH2 4762/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885CCR4 18/4885KCNH2 4679/4885

“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.