SCHEMBL4611178

SCHEMBL4611178

Cc1nc(Nc2ccc(OCC(=O)OC(C)(C)C)cc2)ccc1CN1CCC(N2C(=O)OCC2c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.43
CCR4 P51679 2/20 0.43
KCNH2 Q12809 2/20 0.42
SYK P43405 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MCHR1 Q99705 1/20 0.33
IDH1 O75874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4611172 1.00 CCR5 (0.43) CCR5CCR4KCNH2SYKGPR84
SCHEMBL5574441 0.92 CCR5 (0.47) CCR5CCR4KCNH2ALDH1A1L3MBTL1
SCHEMBL4597636 0.92 CCR5 (0.47) CCR5CCR4KCNH2ALDH1A1L3MBTL1
SCHEMBL5572571 0.88 CCR5 (0.43) CCR5CCR4KCNH2MCHR1
SCHEMBL5572567 0.88 CCR5 (0.43) CCR5CCR4KCNH2MCHR1
SCHEMBL4598246 0.88 CCR5 (0.56) CCR5CCR4KCNH2GPR84ALDH1A1
SCHEMBL5575447 0.88 CCR5 (0.56) CCR5CCR4KCNH2GPR84ALDH1A1
SCHEMBL5576325 0.81 CCR5 (0.40) CCR5CCR4KCNH2ALDH1A1
SCHEMBL5576318 0.81 CCR5 (0.40) CCR5CCR4KCNH2ALDH1A1
SCHEMBL5575992 0.81 CCR5 (0.49) CCR5CCR4KCNH2GPR84

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CCR5 1/4885CCR4 2/4885KCNH2 4762/4885

“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.