SCHEMBL18367366

SCHEMBL18367366

CC1(C(F)(F)F)OCc2cnc(C(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.45
ASPH Q12797 2/20 0.42
KDM4E B2RXH2 1/20 0.36
KDM8 Q8N371 1/20 0.36
BACE1 P56817 10/20 0.34
APP P05067 4/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.33
CTSD P07339 1/20 0.32
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL30092674 1.00 RIPK1 (0.45) RIPK1ASPHKDM4EKDM8BACE1
SCHEMBL19659483 0.88 RIPK1 (0.46) RIPK1BACE1APPBACE2CYP3A4
SCHEMBL22888435 0.88 RIPK1 (0.46) RIPK1BACE1APPBACE2CYP3A4
SCHEMBL30587469 0.86 RIPK1 (0.42) RIPK1KDM4EBACE1APPBACE2
SCHEMBL18367362 0.86 RIPK1 (0.42) RIPK1KDM4EBACE1APPBACE2
SCHEMBL18365947 0.81 RIPK1 (0.46) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL30587542 0.81 RIPK1 (0.46) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL22887566 0.81 RIPK1 (0.53) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL18372752 0.81 RIPK1 (0.53) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL30092731 0.81 RIPK1 (0.53) RIPK1ASPHKDM4EKDM8POLB

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 11 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
CN-112979660-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-06-18 CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
CN-107849023-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2021-03-23 CN 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
CN-111269221-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2020-06-12 CN disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO 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 RIPK1 3064/4885ASPH 1785/4885KDM4E 3546/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 RIPK1 3064/4885ASPH 1785/4885KDM4E 3546/4885

“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.