SCHEMBL2835192

SCHEMBL2835192

NC[C@H]1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
PTPN11 Q06124 2/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
RET P07949 5/20 0.43
BPTF Q12830 1/20 0.43
CHRM4 P08173 1/20 0.42
PRKCQ Q04759 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKT2 P31751 2/20 0.38
GSK3B P49841 1/20 0.38
PIM1 P11309 2/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL3264954 1.00 PDE10A (0.52) PDE10APTPN11GRIN2DGRIN3BGRIN1
SCHEMBL2859580 1.00 PDE10A (0.52) PDE10APTPN11GRIN2DGRIN3BGRIN1
SCHEMBL13059662 0.91 PDE10A (0.51) PDE10APTPN11GRIN2DGRIN3BGRIN1
SCHEMBL345209 0.82 PDE10A (0.49) PDE10APTPN11GRIN2DGRIN3BGRIN1
SCHEMBL25081250 0.82 BPTF (0.52) PTPN11RETBPTFCHRM4PRKCQ
SCHEMBL25264968 0.81 PDE10A (0.51) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25192118 0.81 PDE10A (0.51) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL392530 0.80 GRIN2D (0.47) PDE10APTPN11GRIN2DGRIN3BGRIN1
SCHEMBL390612 0.80 GRIN2D (0.47) PDE10APTPN11GRIN2DGRIN3BGRIN1
SCHEMBL390613 0.80 GRIN2D (0.47) PDE10APTPN11GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166847-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
EP-2166847-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-8293721-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARPE & DOHME CORP. (US) 2012-10-23 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
US-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME LLC 2010-07-22 US disclosed
EP-2166847-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156718-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156718-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO 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-20100184719-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP PDE10A 2898/4885PTPN11 3587/4885GRIN2D 4827/4885

“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.