SCHEMBL18367368

SCHEMBL18367368

CC1(C(F)(F)F)OCc2cnc(C(=O)O)nc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
BACE1 P56817 4/20 0.31
BACE2 Q9Y5Z0 4/20 0.31
RIPK1 Q13546 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 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
SCHEMBL19659482 0.90 BACE1 (0.31) BACE1BACE2RIPK1APPCYP3A4
SCHEMBL22888406 0.88 BACE1 (0.32) BACE1BACE2RIPK1APPCYP3A4
SCHEMBL19659484 0.86
SCHEMBL27177096 0.81 POLB (0.36) POLBMAPTKMT2ARIPK1
SCHEMBL18372599 0.81 RIPK1 (0.35) POLBRIPK1
SCHEMBL30587563 0.77 SMN1; SMN2 (0.31)
SCHEMBL18367373 0.77 SMN1; SMN2 (0.31)
SCHEMBL22887768 0.77
SCHEMBL18366602 0.77 RIPK1 (0.43) POLBMAPTKMT2ARIPK1
SCHEMBL29080931 0.76 POLB (0.34) POLBMAPTKMT2ARIPK1

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 POLB 1182/4885MAPT 4330/4885KMT2A 3390/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 POLB 1182/4885MAPT 4330/4885KMT2A 3390/4885

“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.