SCHEMBL15043876

SCHEMBL15043876

Bc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
THRB P10828 1/20 0.52
GPR119 Q8TDV5 6/20 0.51
STS P08842 2/20 0.49
PDE4B Q07343 1/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
ALOX12 P18054 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45

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
SCHEMBL226123 0.86 KMO (0.55) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL29769962 0.86 KMO (0.55) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL1558412 0.86 NAMPT (0.54) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL30563607 0.86 GPR119 (0.65) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL30673157 0.86 NAMPT (0.54) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL30376009 0.85 GPR119 (0.54) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL1427529 0.85 NAMPT (0.53) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL21523778 0.85 TP53 (0.56) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL30014833 0.85 NAMPT (0.53) NAMPTMAPTKDM4ETHRBGPR119
SCHEMBL835855 0.85 GPR119 (0.54) NAMPTMAPTKDM4ETHRBGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108937-B2 Positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-08-18 US disclosed
US-20130158002-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-20 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 (1 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-20130158002-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRM1, GRM3 NAMPT 3476/4885MAPT 976/4885KDM4E 1774/4885

“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.