SCHEMBL3758172

SCHEMBL3758172

CC(CCNC(=O)OC(C)(C)C)N1CCC(NCC2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
CTSK P43235 4/20 0.38
CTSS P25774 1/20 0.38
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
DRD2 P14416 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3758163 1.00 EPHX1 (0.46) EPHX1CTSKCTSSKMT2AGAA
SCHEMBL13052234 0.79 KMT2A (0.43) EPHX1CTSKKMT2AGAAMEN1
SCHEMBL3757286 0.78 IDO1 (0.44) CTSKKMT2ASIGMAR1DRD2
SCHEMBL3757285 0.78 IDO1 (0.44) CTSKKMT2ASIGMAR1DRD2
SCHEMBL3768335 0.76 CCR5 (0.42) EPHX1CTSKCTSSKCNH2
SCHEMBL3768332 0.76 CCR5 (0.42) EPHX1CTSKCTSSKCNH2
SCHEMBL3757433 0.75 CCR5 (0.45) CTSKCTSSKCNH2
SCHEMBL3757430 0.75 CCR5 (0.45) CTSKCTSSKCNH2
SCHEMBL5113769 0.74 EPHX1 (0.73) EPHX1CTSKCTSSKMT2AGAA
SCHEMBL5447162 0.74 EPHX1 (0.64) EPHX1

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
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
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US 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 EPHX1 1384/4885CTSK 1957/4885CTSS 1961/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 EPHX1 1384/4885CTSK 1957/4885CTSS 1961/4885

“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.