SCHEMBL18367456

SCHEMBL18367456

CN1C(=O)CCCn2nc(CC3CCOCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
HTR6 P50406 7/20 0.38
CYP2C19 P33261 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NLRP3 Q96P20 1/20 0.34
BRD4 O60885 3/20 0.33
CCL2 P13500 1/20 0.33
GRM5 P41594 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP1A2 P05177 1/20 0.32
ATM Q13315 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
DRD2 P14416 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
SCHEMBL20262400 0.93 RIPK1 (0.49) RIPK1HTR6CYP2C19KCNH2NLRP3
SCHEMBL22888444 0.91 RIPK1 (0.35) RIPK1HTR6BRD4GRM5CYP1A2
SCHEMBL19659658 0.84 KCNH2 (0.39) RIPK1KCNH2CYP2C9NLRP3GRM5
SCHEMBL19659596 0.82 RIPK1 (0.47) RIPK1HTR6CYP2C19KCNH2CYP3A4
SCHEMBL18366464 0.81 KDM5B (0.34) RIPK1HTR6NLRP3BRD4CNR2
SCHEMBL18367457 0.81 RIPK1 (0.47) RIPK1HTR6CYP2C19KCNH2CYP3A4
SCHEMBL18367458 0.81 RIPK1 (0.47) RIPK1HTR6CYP2C19KCNH2CYP3A4
SCHEMBL19659226 0.79 CYP1A2 (0.36) BRD4GRM5CYP11B2CYP1A2
SCHEMBL19658306 0.78 CYP1A2 (0.32) RIPK1GRM5CYP1A2
SCHEMBL19658307 0.78 CYP1A2 (0.32) RIPK1GRM5CYP1A2

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
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 RIPK1 3064/4885HTR6 4650/4885CYP2C19 16/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 RIPK1 3064/4885HTR6 4650/4885CYP2C19 16/4885

“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.