SCHEMBL412338

SCHEMBL412338

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS2 P35354 2/20 0.45
CTSA P10619 1/20 0.44
DGAT1 O75907 6/20 0.41
BCL9 O00512 2/20 0.40
CTNNB1 P35222 2/20 0.40
SLC22A12 Q96S37 1/20 0.40
RXRA P19793 1/20 0.39
KMO O15229 2/20 0.39
VNN1 O95497 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 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
SCHEMBL411066 0.90 CNR1 (0.48) CNR1L3MBTL1PTGS2CTSADGAT1
SCHEMBL412176 0.90 CNR1 (0.53) CNR1L3MBTL1PTGS2CTSADGAT1
SCHEMBL440662 0.86 CNR1 (0.62) CNR1L3MBTL1PTGS2CTSA
SCHEMBL15670295 0.85 L3MBTL1 (0.52) CNR1L3MBTL1PTGS2CTSARXRA
SCHEMBL2127732 0.84 CNR1 (0.50) CNR1L3MBTL1PTGS2DGAT1SLC22A12
SCHEMBL410534 0.82 PTGS2 (0.49) CNR1L3MBTL1PTGS2SLC22A12RXRA
SCHEMBL411999 0.82 CTSA (0.50) CNR1CTSABCL9CTNNB1SLC22A12
SCHEMBL412159 0.81 CNR1 (0.48) CNR1L3MBTL1PTGS2CTSADGAT1
SCHEMBL412340 0.81 PTPN11 (0.46) CNR1L3MBTL1PTGS2RXRA
SCHEMBL411514 0.81 PTGDR2 (0.47) CNR1L3MBTL1PTGS2CTSASLC22A12

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 17 patents. 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
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
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP 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 (2 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 586/4885PTGS2 2497/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885L3MBTL1 586/4885PTGS2 2497/4885

“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.