SCHEMBL18367374

SCHEMBL18367374

COC(=O)c1ncc2c(n1)C(C)(C(F)(F)F)OC2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
BACE1 P56817 8/20 0.32
BACE2 Q9Y5Z0 7/20 0.32
APP P05067 2/20 0.31
CYP3A4 P08684 1/20 0.31
CTSD P07339 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 0.87 BACE1 (0.31) BACE1BACE2APPCYP3A4
SCHEMBL18367368 0.86 POLB (0.33) MAPTKMT2ABACE1BACE2APP
SCHEMBL22888406 0.85 BACE1 (0.32) RAB9ABACE1BACE2APPCYP3A4
SCHEMBL18366416 0.83 ALDH1A1 (0.35) NPC1ALDH1A1TP53HPGDCASP1
SCHEMBL30587638 0.83 ALDH1A1 (0.35) NPC1ALDH1A1TP53HPGDCASP1
SCHEMBL18372625 0.82 RIPK1 (0.34) NPC1ALDH1A1TP53HPGDCASP1
SCHEMBL18366601 0.79 RIPK1 (0.41) NPC1ALDH1A1TP53HPGDCASP1
SCHEMBL29080903 0.78 NPC1 (0.33) NPC1ALDH1A1TP53HPGDCASP1
SCHEMBL30587509 0.77 NPC1 (0.31) NPC1ALDH1A1TP53HPGDCASP1
SCHEMBL18367169 0.77 NPC1 (0.31) NPC1ALDH1A1TP53HPGDCASP1

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 NPC1 541/4885ALDH1A1 1195/4885TP53 4750/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 NPC1 541/4885ALDH1A1 1195/4885TP53 4750/4885

“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.