SCHEMBL411960

SCHEMBL411960

COC(=O)c1ncc(OCC(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOTUM Q6P988 3/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
RCE1 Q9Y256 1/20 0.40
KMO O15229 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
SLC6A2 P23975 3/20 0.38
CNR2 P34972 2/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL411963 0.88 KMO (0.47) SLC6A3MEN1MAPTKMT2AHTT
SCHEMBL440973 0.88 MRGPRX4 (0.41) SLC6A3MAPTKDM4EPKM
SCHEMBL21634704 0.83 NOTUM (0.46) SLC6A3MEN1MAPTKMT2AHTT
SCHEMBL412314 0.82 KIF20B (0.42) SLC6A3MEN1MAPTKMT2AHTT
SCHEMBL412182 0.80 CNR2 (0.38) MAPTHTTCNR2PTGES
SCHEMBL21634717 0.75 TTR (0.47) SLC6A3MEN1MAPTKMT2AHTT
SCHEMBL31267253 0.75 TTR (0.47) SLC6A3MEN1MAPTKMT2AHTT
SCHEMBL440116 0.75 KMO (0.47) MEN1MAPTKMT2AKMO
SCHEMBL28912077 0.74 GRM2 (0.44) SLC6A3MEN1MAPTKMT2AHTT
SCHEMBL28044489 0.74 KMT2A (0.36) SLC6A3MEN1MAPTKMT2AHTT

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 SLC6A3 3954/4885MEN1 1426/4885MAPT 4619/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR SLC6A3 3954/4885MEN1 1426/4885MAPT 4619/4885

“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.