SCHEMBL18367454

SCHEMBL18367454

CNc1cc(CC2CCOCC2)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.36
MAPK1 P28482 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DAO P14920 1/20 0.33
FGFR1 P11362 1/20 0.32
CHEK1 O14757 2/20 0.31
PLK4 O00444 1/20 0.31
CSF1R P07333 1/20 0.31
PDE10A Q9Y233 2/20 0.31
PDE6D O43924 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE6H Q13956 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NLRP3 Q96P20 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL20262314 0.91 PIK3CA (0.33) CNR2CNR1MAPK1NLRP3KCNH2
SCHEMBL18367453 0.81 CNR2 (0.35) CNR2CNR1MAPK1DAOCHEK1
SCHEMBL18367452 0.76 CNR1 (0.41) CNR2CNR1MAPK1DAOCSF1R
SCHEMBL20262388 0.73 MAPK1 (0.34) CNR2CNR1MAPK1NLRP3KCNH2
SCHEMBL20282527 0.71 CNR1 (0.35) CNR2CNR1MAPK1DAOCHEK1
SCHEMBL30587471 0.71 HCAR2 (0.37) CNR2CNR1DAOKCNH2
SCHEMBL17303921 0.70 MAPK1 (0.40) CNR2MAPK1PLK4PDE10APDE6D
SCHEMBL12038444 0.69
SCHEMBL20262415 0.68 XDH (0.37) CNR2CNR1MAPK1DAOALDH1A1
SCHEMBL23910454 0.64 MAPK1 (0.35) MAPK1DAOCSF1RNLRP3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
EP-3317269-B1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2022-09-21 EP disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 CNR2 1198/4885CNR1 196/4885MAPK1 4237/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 CNR2 1198/4885CNR1 196/4885MAPK1 4237/4885

“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.