SCHEMBL2833768

SCHEMBL2833768

O=C(O)NCC1CCc2ccccc2CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
F2 P00734 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD2 P14416 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN2B Q13224 1/20 0.42
NPY5R Q15761 2/20 0.42
NPY1R P25929 1/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL1567241 0.78 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL2839996 0.78 NPY5R (0.45) MEN1KMT2ADRD2SMN1; SMN2NPY5R
SCHEMBL2696109 0.77 CYP2D6 (0.52) EPHX1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL2835628 0.77 GRIN2B (0.54) MEN1KMT2ADRD2SMN1; SMN2GRIN2B
SCHEMBL4396576 0.76 CYP2D6 (0.63) EPHX1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL4396572 0.76 CYP2D6 (0.63) EPHX1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL217411 0.76
SCHEMBL4071616 0.75 ADRA1D (0.51) CYP2C19MAPT
SCHEMBL25331289 0.74 MTNR1A (0.73) MTNR1AMTNR1BF2MAPTDRD2
SCHEMBL4935025 0.74 CA2 (0.60) DRD2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170059-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 US disclosed
EP-2170059-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156717-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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP EPHX1 541/4885CYP2D6 1127/4885CYP2C19 364/4885

“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.