SCHEMBL18366392

SCHEMBL18366392

O=C1CCOC(c2ccc(F)c(F)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
DRD3 P35462 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.33
ABCC9 O60706 2/20 0.32
ABCC8 Q09428 2/20 0.32
KCNJ11 Q14654 2/20 0.32
KCNJ8 Q15842 2/20 0.32

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
SCHEMBL30587569 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BDRD3SIRT2
SCHEMBL18366390 0.81 MAOB (0.43) MAOB
SCHEMBL12220623 0.77 KDM4E (0.48)
SCHEMBL20719804 0.75 CYP2C9 (0.38) KDM1AMAOB
SCHEMBL12220617 0.75 ESR2 (0.50)
SCHEMBL8676416 0.74 TSHR (0.48) MAOB
SCHEMBL8519316 0.74 TSHR (0.48) MAOB
SCHEMBL4298893 0.74 TSHR (0.48) MAOB
SCHEMBL18366395 0.73 HTR2A (0.39) HTR2AHTR2CHTR2BMAOB
SCHEMBL20524900 0.73 HTR1A (0.57) HTR2AHTR2CHTR2BDRD3

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 HTR2A 3967/4885HTR2C 3044/4885HTR2B 2906/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 HTR2A 3967/4885HTR2C 3044/4885HTR2B 2906/4885

“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.