SCHEMBL5573794

SCHEMBL5573794

Cc1nc(Sc2ccc(C(=O)NC3CC3)cc2)ccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 10/20 0.61
CCR4 P51679 3/20 0.44
KCNH2 Q12809 2/20 0.43
TNKS O95271 3/20 0.40
DRD4 P21917 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A12 P48065 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38

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
SCHEMBL5573802 1.00 CCR5 (0.61) CCR5CCR4KCNH2TNKSDRD4
SCHEMBL4627240 0.91 CCR5 (0.72) CCR5CCR4KCNH2
SCHEMBL4627241 0.91 CCR5 (0.72) CCR5CCR4KCNH2
SCHEMBL5572494 0.87 CCR5 (0.59) CCR5CCR4KCNH2DRD4POLB
SCHEMBL5572497 0.87 CCR5 (0.59) CCR5CCR4KCNH2DRD4POLB
SCHEMBL4656708 0.86 CCR5 (0.60) CCR5CCR4KCNH2
SCHEMBL4656713 0.86 CCR5 (0.60) CCR5CCR4KCNH2
SCHEMBL5576066 0.85 CCR5 (0.57) CCR5CCR4KCNH2KMT2A
SCHEMBL5576362 0.85 CCR5 (0.64) CCR5CCR4KCNH2DRD4
SCHEMBL5576069 0.85 CCR5 (0.57) CCR5CCR4KCNH2KMT2A

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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.