SCHEMBL3299395

SCHEMBL3299395

C[C@H](NC(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1nnn(C)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
CNR2 P34972 3/20 0.32
APLNR P35414 1/20 0.31
CNR1 P21554 1/20 0.31
NPC1 O15118 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL3307891 0.78 CNR2 (0.32) CNR2RECQL
SCHEMBL3305440 0.76 NAALAD2 (0.39) CNR2
SCHEMBL3304366 0.74 TSHR (0.41) TSHRCNR2NPC1KDM4EALDH1A1
SCHEMBL532131 0.72 MEN1 (0.36) TSHRCNR2APLNRCNR1NPC1
SCHEMBL3304598 0.72
SCHEMBL3392866 0.71 CNR2 (0.44) TSHRCNR2CNR1NPC1KDM4E
SCHEMBL16823510 0.70
SCHEMBL16823509 0.70
SCHEMBL4970087 0.69
SCHEMBL22346404 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 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 (5 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP TSHR 2302/4885CNR2 729/4885APLNR 4692/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP TSHR 2302/4885CNR2 729/4885APLNR 4692/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP TSHR 2302/4885CNR2 729/4885APLNR 4692/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP TSHR 2302/4885CNR2 729/4885APLNR 4692/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP TSHR 2302/4885CNR2 729/4885APLNR 4692/4885

“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.