SCHEMBL5572571

SCHEMBL5572571

Cc1nc(Nc2ccc(OCC(=O)NC3CC3)cc2)ccc1CN1CCC(N2C(=O)OCC2c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.43
CCR4 P51679 2/20 0.43
ADIPOR2 Q86V24 1/20 0.43
ADIPOR1 Q96A54 1/20 0.43
KCNH2 Q12809 2/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.41
MCHR1 Q99705 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5572567 1.00 CCR5 (0.43) CCR5CCR4ADIPOR2ADIPOR1KCNH2
SCHEMBL5574441 0.92 CCR5 (0.47) CCR5CCR4KCNH2MEN1KMT2A
SCHEMBL4597636 0.92 CCR5 (0.47) CCR5CCR4KCNH2MEN1KMT2A
SCHEMBL4611172 0.88 CCR5 (0.43) CCR5CCR4KCNH2MCHR1
SCHEMBL4611178 0.88 CCR5 (0.43) CCR5CCR4KCNH2MCHR1
SCHEMBL5576318 0.82 CCR5 (0.40) CCR5CCR4KCNH2POLBMEN1
SCHEMBL5576325 0.82 CCR5 (0.40) CCR5CCR4KCNH2POLBMEN1
SCHEMBL5576018 0.80 CCR5 (0.62) CCR5CCR4KCNH2
SCHEMBL5576026 0.80 CCR5 (0.62) CCR5CCR4KCNH2
SCHEMBL5576362 0.79 CCR5 (0.64) CCR5CCR4KCNH2

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 2/4885ADIPOR2 533/4885

“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.