SCHEMBL3143440

SCHEMBL3143440

CCOC(=O)c1cc2cc(OC(F)(F)F)ccc2n1CC#N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.48
CNR1 P21554 9/20 0.44
ELANE P08246 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL3954003 0.87 L3MBTL1 (0.49) HRH3NOD2NOD1MEN1KMT2A
SCHEMBL5621855 0.84 NOD2 (0.46) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL2398795 0.81 NOD2 (0.48) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL3091481 0.81 NOD2 (0.46) ELANENOD2NOD1MEN1KMT2A
SCHEMBL38652509 0.81 NOD2 (0.46) ELANENOD2NOD1MEN1KMT2A
SCHEMBL15670291 0.81 L3MBTL1 (0.56) NTRK1ELANEMEN1KMT2AKDM4E
SCHEMBL30585515 0.80 NOD2 (0.64) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL1392918 0.80 NOD2 (0.64) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL31424255 0.80 MEN1 (0.44) HRH3NOD2NOD1MEN1KMT2A
SCHEMBL14605045 0.79 NTRK1 (0.79) NTRK1CNR1KDM4ECRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828200-B1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. HOFFMANN LA ROCHE (CH) 2010-02-17 EP disclosed
US-7375226-B2 Bi- and tricyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-05-20 US disclosed
EP-1828200-A1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
WO-2006063709-A1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator HOFFMANN-LA ROCHE INC. 2006-06-15 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 (1 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-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator GRIN1, GRIA1, GRM1 NTRK1 718/4885CNR1 157/4885ELANE 3967/4885

“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.