SCHEMBL2836661

SCHEMBL2836661

O=C1OC(CCl)CN1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.55
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SIRT1 Q96EB6 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2832723 1.00 GRM2 (0.55) GRM2HPGDTSHRSIRT1MAPK1
SCHEMBL10572097 0.88 GRM2 (0.52) GRM2HPGDTSHRSIRT1MAPK1
SCHEMBL11744593 0.87 GRM2 (0.63) GRM2HPGDTSHRSIRT1MAPK1
SCHEMBL12356873 0.86 GRM2 (0.57) GRM2HPGDTSHRMAPK1L3MBTL1
SCHEMBL8948258 0.86 GRM2 (0.54) GRM2HPGDTSHRSIRT1
SCHEMBL12356902 0.86 GRM2 (0.54) GRM2HPGDTSHRSIRT1
SCHEMBL2832784 0.86 GRM2 (0.54) GRM2HPGDTSHRSIRT1MAPK1
SCHEMBL6869635 0.84 GRM2 (0.57) GRM2
SCHEMBL3851718 0.84 GRM2 (0.46) GRM2
SCHEMBL29067786 0.83 GRM2 (0.51) GRM2HPGDTSHRSIRT1MAPK1

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 7 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
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
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
US-4886794-A ANTIHISTAMINES, ANTIALLERGENS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-12-12 US disclosed
EP-0291244-A1 Cyclic carbamate derivatives A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-11-17 EP 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 GRM2 4870/4885HPGD 3203/4885TSHR 2479/4885

“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.