SCHEMBL3756538

SCHEMBL3756538

CCC[C@@H]1CN(c2ccccc2)C(=O)N1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.52
USP30 Q70CQ3 2/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 2/20 0.43
STS P08842 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL3756543 1.00 GPR119 (0.52) GPR119USP30KDM4EPKMTP53
SCHEMBL20469562 0.78 TP53 (0.46) GPR119KDM4EPKMTP53THRB
SCHEMBL5575428 0.76 MEN1 (0.49) GPR119USP30KDM4EPKMTP53
SCHEMBL5575439 0.76 MEN1 (0.49) GPR119USP30KDM4EPKMTP53
SCHEMBL3604813 0.73 USP30 (0.59) GPR119USP30KDM4EPKMJAK2
SCHEMBL4609959 0.73 GPR119 (0.46) GPR119USP30KDM4EPKMTP53
SCHEMBL4609951 0.73 GPR119 (0.46) GPR119USP30KDM4EPKMTP53
SCHEMBL4598325 0.72 CCR5 (0.54) GPR119USP30KDM4ETP53THRB
SCHEMBL4596495 0.72 GPR119 (0.49) GPR119USP30KDM4EPKMJAK2
SCHEMBL4596490 0.72 GPR119 (0.49) GPR119USP30KDM4EPKMJAK2

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 GPR119 207/4885USP30 4287/4885KDM4E 4532/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GPR119 207/4885USP30 4287/4885KDM4E 4532/4885

“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.