SCHEMBL5576646

SCHEMBL5576646

O=C(NC1CCCC1)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.82
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM3 P20309 1/20 0.53

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
SCHEMBL5576649 1.00 CCR5 (0.82) CCR5NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5572584 0.95 CCR5 (0.77) CCR5CHRM2CHRM3
SCHEMBL5575950 0.95 CCR5 (0.77) CCR5CHRM2CHRM3
SCHEMBL5575948 0.95 CCR5 (0.77) CCR5CHRM2CHRM3
SCHEMBL5572581 0.95 CCR5 (0.77) CCR5CHRM2CHRM3
SCHEMBL5576118 0.94 CCR5 (0.76) CCR5NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5573657 0.94 CCR5 (0.76) CCR5CHRM2CHRM3
SCHEMBL5576113 0.94 CCR5 (0.76) CCR5NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5573651 0.94 CCR5 (0.76) CCR5CHRM2CHRM3
SCHEMBL5573661 0.94 CCR5 (0.76) CCR5CHRM2CHRM3

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 1/4885NPC1 473/4885RAB9A 2707/4885

“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.