SCHEMBL4610216

SCHEMBL4610216

CC(C)(C)N1CC(c2ccc(Cl)cc2)N(C2CCNCC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR3A P46098 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MDM2 Q00987 4/20 0.36
TP53 P04637 2/20 0.36
SRD5A1 P18405 1/20 0.35
RIPK1 Q13546 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
NSD3 Q9BZ95 1/20 0.33
ABCB1 P08183 1/20 0.32

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
SCHEMBL5573859 0.87 CCR5 (0.44) CCR5KMT2ARIPK1NSD3
SCHEMBL4597902 0.87 CCR5 (0.44) CCR5KMT2ARIPK1NSD3
SCHEMBL4598546 0.85 ALDH1A1 (0.41) CCR5HTR3AALDH1A1MDM2TP53
SCHEMBL5572460 0.81 STS (0.47) CCR5MEN1KMT2ANPSR1TP53
SCHEMBL4610211 0.80 CCR5 (0.37) CCR5
SCHEMBL5573722 0.74 CCR5 (0.38) CCR5RIPK1NSD3
SCHEMBL5573716 0.74 CCR5 (0.38) CCR5RIPK1NSD3
SCHEMBL4552558 0.72 CCR5 (0.47) CCR5
SCHEMBL14571163 0.70 RIPK1 (0.43) CCR5KMT2ASRD5A1RIPK1NSD3
SCHEMBL14571188 0.70 ALDH1A1 (0.40) CCR5HTR3AALDH1A1MDM2TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP 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 1/4885MEN1 4855/4885KMT2A 4627/4885

“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.