SCHEMBL5573731

SCHEMBL5573731

Cc1nc(Oc2ccc(CO)cc2)ccc1CN1CCC(N2C(=O)OCC2c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.59
CCR4 P51679 2/20 0.59
KCNH2 Q12809 2/20 0.58
CHRM1 P11229 1/20 0.37
MCHR1 Q99705 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL4597307 1.00 CCR5 (0.59) CCR5CCR4KCNH2CHRM1MCHR1
SCHEMBL5576523 0.92 CCR5 (0.60) CCR5CCR4KCNH2
SCHEMBL5576517 0.92 CCR5 (0.60) CCR5CCR4KCNH2
SCHEMBL5572741 0.92 CCR5 (0.58) CCR5CCR4KCNH2CHRM2CHRM3
SCHEMBL4596530 0.92 CCR5 (0.58) CCR5CCR4KCNH2CHRM2CHRM3
SCHEMBL5575421 0.92 CCR5 (0.61) CCR5CCR4KCNH2CHRM2CHRM3
SCHEMBL5575434 0.92 CCR5 (0.61) CCR5CCR4KCNH2CHRM2CHRM3
SCHEMBL4598230 0.91 CCR5 (0.59) CCR5CCR4KCNH2CHRM2CHRM3
SCHEMBL5575419 0.91 CCR5 (0.59) CCR5CCR4KCNH2CHRM2CHRM3
SCHEMBL5575997 0.90 CCR5 (0.61) CCR5CCR4KCNH2CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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.