SCHEMBL3758394

SCHEMBL3758394

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD2 P14416 8/20 0.40
TDP1 Q9NUW8 1/20 0.40
UTS2R Q9UKP6 2/20 0.39
MALT1 Q9UDY8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 1/20 0.37
KCNA5 P22460 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL3764510 1.00 MEN1 (0.44) MEN1GAAKMT2ADRD2TDP1
SCHEMBL3758399 1.00 MEN1 (0.44) MEN1GAAKMT2ADRD2TDP1
SCHEMBL13052234 0.80 KMT2A (0.43) MEN1GAAKMT2ADRD2TDP1
SCHEMBL3823663 0.80 CCR5 (0.36) TDP1ALDH1A1
SCHEMBL2683841 0.78 MEN1 (0.57) MEN1GAAKMT2ADRD2TDP1
SCHEMBL21214308 0.77 DRD2 (0.55) DRD2TDP1L3MBTL1ALDH1A1GFER
SCHEMBL16502104 0.75 TDP1 (0.42) MEN1GAAKMT2ADRD2TDP1
SCHEMBL16426501 0.74 CA1 (0.38) GAAKMT2AL3MBTL1
SCHEMBL3758163 0.73 EPHX1 (0.46) MEN1GAAKMT2ADRD2EPHX1
SCHEMBL397759 0.72 MEN1 (0.61) MEN1GAAKMT2ATDP1MALT1

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 MEN1 4855/4885GAA 4390/4885KMT2A 4728/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 MEN1 4855/4885GAA 4390/4885KMT2A 4728/4885

“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.