SCHEMBL3755276

SCHEMBL3755276

C[C@H](CCNC(=O)OC(C)(C)C)N1CCC(NCc2cccc(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.48
PRMT6 Q96LA8 2/20 0.48
CCR5 P51681 11/20 0.47
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSL P07711 1/20 0.42
F10 P00742 1/20 0.42
TP53 P04637 1/20 0.40
DRD2 P14416 1/20 0.39

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
SCHEMBL3755280 1.00 CARM1 (0.48) CARM1PRMT6CCR5UBE2MDCUN1D1
SCHEMBL3757286 0.89 IDO1 (0.44) CARM1PRMT6CCR5DRD2
SCHEMBL3757285 0.89 IDO1 (0.44) CARM1PRMT6CCR5DRD2
SCHEMBL3757433 0.81 CCR5 (0.45) CCR5
SCHEMBL3757430 0.81 CCR5 (0.45) CCR5
SCHEMBL3762498 0.80 CCR5 (0.56) CCR5UBE2MDCUN1D1
SCHEMBL3762494 0.80 CCR5 (0.56) CCR5UBE2MDCUN1D1
SCHEMBL4139961 0.78 STS (0.56) CARM1PRMT6TP53
SCHEMBL3758196 0.77 CCR5 (0.48) CCR5
SCHEMBL13052210 0.77 CCR5 (0.48) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CARM1 4118/4885PRMT6 2861/4885CCR5 1/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CARM1 4118/4885PRMT6 2861/4885CCR5 1/4885

“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.