SCHEMBL5576325

SCHEMBL5576325

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.40
CCR4 P51679 2/20 0.40
KCNH2 Q12809 2/20 0.39
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
MET P08581 1/20 0.34
MERTK Q12866 1/20 0.34
HTR4 Q13639 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL5576318 1.00 CCR5 (0.40) CCR5CCR4KCNH2GRIN1GRIN2B
SCHEMBL5573871 0.88 CCR5 (0.50) CCR5CCR4GRIN1GRIN2BJAK2
SCHEMBL5573866 0.88 CCR5 (0.50) CCR5CCR4GRIN1GRIN2BJAK2
SCHEMBL5573803 0.87 CCR5 (0.55) CCR5CCR4KCNH2GRIN1GRIN2B
SCHEMBL5573796 0.87 CCR5 (0.55) CCR5CCR4KCNH2GRIN1GRIN2B
SCHEMBL5574441 0.85 CCR5 (0.47) CCR5CCR4KCNH2ALDH1A1MEN1
SCHEMBL4597636 0.85 CCR5 (0.47) CCR5CCR4KCNH2ALDH1A1MEN1
SCHEMBL5572567 0.82 CCR5 (0.43) CCR5CCR4KCNH2MEN1POLB
SCHEMBL5572571 0.82 CCR5 (0.43) CCR5CCR4KCNH2MEN1POLB
SCHEMBL4611172 0.81 CCR5 (0.43) CCR5CCR4KCNH2ALDH1A1

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.