SCHEMBL411066

SCHEMBL411066

O=C(O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
DGAT1 O75907 4/20 0.43
PTGS2 P35354 2/20 0.42
KMO O15229 2/20 0.42
KDM4C Q9H3R0 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
CTSA P10619 1/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
PYGL P06737 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
SCHEMBL412176 0.91 CNR1 (0.53) CNR1L3MBTL1DGAT1PTGS2KMO
SCHEMBL2127732 0.91 CNR1 (0.50) CNR1L3MBTL1DGAT1PTGS2KMO
SCHEMBL412159 0.90 CNR1 (0.48) CNR1L3MBTL1DGAT1PTGS2MRGPRX4
SCHEMBL412338 0.90 CNR1 (0.48) CNR1L3MBTL1DGAT1PTGS2KMO
SCHEMBL14761470 0.88 CNR1 (0.48) CNR1DGAT1PTGS2RORARORC
SCHEMBL14762078 0.88 CNR1 (0.53) CNR1DGAT1PTGS2RORARORC
SCHEMBL440662 0.86 CNR1 (0.62) CNR1L3MBTL1PTGS2CTSA
SCHEMBL411537 0.83 KDM4C (0.50) CNR1KMOKDM4CCTSA
SCHEMBL15670295 0.82 L3MBTL1 (0.52) CNR1L3MBTL1PTGS2MRGPRX4CTSA
SCHEMBL2112621 0.81 PIK3CD (0.43) CNR1DGAT1PTGS2RORARORC

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
EP-2755953-A1 3 -PYRIDINE CARBOXYLIC ACID HYDRAZIDES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
WO-2013037703-A1 3 -PYRIDINE CARBOXYLIC ACID HYDRAZIDES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
WO-2013037703-A1 3 -PYRIDINE CARBOXYLIC ACID HYDRAZIDES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO disclosed
US-20130065876-A1 3-PYRIDINE CARBOXYLIC ACID HYDRAZIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 US disclosed
US-20130065876-A1 3-PYRIDINE CARBOXYLIC ACID HYDRAZIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 US disclosed
US-20130065876-A1 3-PYRIDINE CARBOXYLIC ACID HYDRAZIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885L3MBTL1 586/4885DGAT1 411/4885
US-20130065876-A1 3-PYRIDINE CARBOXYLIC ACID HYDRAZIDES HMGCR, HCAR3, HCAR1 CNR1 303/4885L3MBTL1 3780/4885DGAT1 2865/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885L3MBTL1 586/4885DGAT1 411/4885

“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.