SCHEMBL13052234

SCHEMBL13052234

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
EPHX1 P07099 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
DRD2 P14416 5/20 0.37
CACNA1H O95180 1/20 0.37
GFER P55789 1/20 0.36
CTSK P43235 2/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL3758399 0.80 MEN1 (0.44) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL3758394 0.80 MEN1 (0.44) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL3764510 0.80 MEN1 (0.44) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL3758172 0.79 EPHX1 (0.46) KMT2AMEN1GAAEPHX1DRD2
SCHEMBL3758163 0.79 EPHX1 (0.46) KMT2AMEN1GAAEPHX1DRD2
SCHEMBL14614740 0.78 CACNA1H (0.53) EPHX1TDP1DRD2CACNA1H
SCHEMBL2683841 0.77 MEN1 (0.57) KMT2AMEN1GAAEPHX1TDP1
SCHEMBL3757286 0.77 IDO1 (0.44) KMT2ADRD2CTSK
SCHEMBL3757285 0.77 IDO1 (0.44) KMT2ADRD2CTSK
SCHEMBL4241572 0.76 ALDH1A1 (0.59) ALDH1A1DRD2GFERMMP2

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

“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.