SCHEMBL5573735

SCHEMBL5573735

COc1cc(Oc2ccc(CN3CCC(N4C(=O)OC[C@H]4c4ccccc4)CC3)c(C)n2)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.56
CCR4 P51679 2/20 0.56
KCNH2 Q12809 2/20 0.53
OXTR P30559 6/20 0.43
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AVPR2 P30518 1/20 0.38
AVPR1A P37288 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
SCHEMBL5573743 1.00 CCR5 (0.56) CCR5CCR4KCNH2OXTRPDCD1
SCHEMBL5572415 0.92 CCR5 (0.60) CCR5CCR4KCNH2OXTR
SCHEMBL5572420 0.92 CCR5 (0.60) CCR5CCR4KCNH2OXTR
SCHEMBL5575598 0.91 CCR5 (0.57) CCR5CCR4KCNH2
SCHEMBL5575607 0.91 CCR5 (0.57) CCR5CCR4KCNH2
SCHEMBL5573919 0.88 CCR5 (0.56) CCR5CCR4KCNH2OXTR
SCHEMBL4596361 0.88 CCR5 (0.56) CCR5CCR4KCNH2OXTR
SCHEMBL4598230 0.88 CCR5 (0.59) CCR5CCR4KCNH2
SCHEMBL5575419 0.88 CCR5 (0.59) CCR5CCR4KCNH2
SCHEMBL5575319 0.87 CCR5 (0.72) 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 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.