SCHEMBL18367452

SCHEMBL18367452

Nc1cc(CC2CCOCC2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MAPK1 P28482 2/20 0.35
DAO P14920 2/20 0.35
AKT1 P31749 3/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
BRS3 P32247 1/20 0.33
CSF1R P07333 2/20 0.32
GSK3B P49841 4/20 0.32
CDC7 O00311 2/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 3/20 0.32
HTR6 P50406 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL20262415 0.90 XDH (0.37) CNR1CNR2MAPK1DAOAKT1
SCHEMBL14723143 0.88 DAO (0.39) CNR1CNR2DAOMITFALDH1A1
SCHEMBL4010753 0.78 DAO (0.40) MAPK1DAOAKT1PIK3CAMTOR
SCHEMBL30587471 0.77 HCAR2 (0.37) CNR1CNR2DAOBRS3KCNH2
SCHEMBL18367454 0.76 CNR2 (0.36) CNR1CNR2MAPK1DAOCSF1R
SCHEMBL23910454 0.73 MAPK1 (0.35) MAPK1DAOAKT1PIK3CAMTOR
SCHEMBL18367453 0.73 CNR2 (0.35) CNR1CNR2MAPK1DAO
SCHEMBL20282527 0.71 CNR1 (0.35) CNR1CNR2MAPK1DAOPIK3CA
SCHEMBL4016705 0.70 DAO (0.47) DAOCSF1RGSK3BCDK2MKNK1
SCHEMBL20262314 0.68 PIK3CA (0.33) CNR1CNR2MAPK1PIK3CAGSK3B

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 7 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
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 CNR1 196/4885CNR2 1198/4885MAPK1 4237/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 CNR1 196/4885CNR2 1198/4885MAPK1 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.