SCHEMBL10243637

SCHEMBL10243637

C[C@H]1NC(=O)O[C@@H]1c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.51
TDP1 Q9NUW8 1/20 0.40
FADS1 O60427 3/20 0.39
PGR P06401 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL13413571 1.00 GRM5 (0.51) GRM5TDP1FADS1PGRKCNH2
SCHEMBL10244382 1.00 GRM5 (0.51) GRM5TDP1FADS1PGRKCNH2
SCHEMBL13394570 1.00 GRM5 (0.51) GRM5TDP1FADS1PGRKCNH2
SCHEMBL11099684 0.84 MAPT (0.42) GRM5
SCHEMBL11099686 0.84 MAPT (0.42) GRM5
SCHEMBL9671149 0.84 MAPT (0.42) GRM5
SCHEMBL338191 0.83 GRM5 (0.49) GRM5
SCHEMBL6374631 0.83 GRM5 (0.49) GRM5
SCHEMBL4291 0.83 GRM5 (0.49) GRM5
SCHEMBL8192290 0.83 GRM5 (0.49) GRM5

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
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-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
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 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 (3 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 GRM5 4799/4885TDP1 1006/4885FADS1 206/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP GRM5 4799/4885TDP1 1006/4885FADS1 206/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP GRM5 4799/4885TDP1 1006/4885FADS1 206/4885

“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.