SCHEMBL18366229

SCHEMBL18366229

CN1C(=O)C(N)CCCn2cncc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
AADAT Q8N5Z0 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
DPP4 P27487 2/20 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
SCHEMBL18365841 0.91 CYP3A4 (0.37) AADATCYP3A4TSHRTDP1MAPT
SCHEMBL22888069 0.84 CHRM2 (0.32)
SCHEMBL18366227 0.82
SCHEMBL19659125 0.77 PIK3CD (0.33)
SCHEMBL18366228 0.76
SCHEMBL18366386 0.76
SCHEMBL18366218 0.73 RIPK1 (0.39) PIM1PIM3PIM2CYP3A4TSHR
SCHEMBL18366012 0.73 BRD4 (0.39) CYP11B1CYP11B2
SCHEMBL18366226 0.72 HSD17B10 (0.35) CYP11B1CYP11B2TSHR
SCHEMBL25432924 0.71 CYP17A1 (0.34) CYP11B1CYP11B2

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 10 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
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 PIM1 3180/4885PIM3 3944/4885PIM2 3942/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 PIM1 3180/4885PIM3 3944/4885PIM2 3942/4885

“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.