SCHEMBL22155162

SCHEMBL22155162

CCc1cc(Cl)c(F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
HTR2A P28223 8/20 0.38
HTR2C P28335 8/20 0.38
HTR2B P41595 6/20 0.38
CYP3A4 P08684 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
PYCR1 P32322 1/20 0.36
HSPA5 P11021 1/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
LMNA P02545 1/20 0.33
S1PR1 P21453 1/20 0.32
DAO P14920 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL24852110 0.84 IDO1 (0.41) IDO1PYCR1S1PR1DAO
SCHEMBL17071829 0.81 HTR2A (0.36) IDO1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL30151183 0.81 KIF11 (0.42) IDO1HTR2AHTR2CHTR2BPYCR1
SCHEMBL24852109 0.81 KIF11 (0.42) IDO1HTR2AHTR2CHTR2BPYCR1
SCHEMBL13557209 0.80 HTR2A (0.40) HTR2AHTR2CHTR2BCYP3A4SIGMAR1
SCHEMBL20656678 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BCYP3A4SIGMAR1
SCHEMBL13804350 0.77 IDO1 (0.36) IDO1HTR2AHTR2CHTR2BCYP3A4
SCHEMBL17069252 0.75 HTR2A (0.33) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL257057 0.74 DAO (0.48) IDO1SIGMAR1PYCR1LMNADAO
SCHEMBL257060 0.74 IDO1 (0.61) IDO1PYCR1LMNAS1PR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252014-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2021-08-19 US disclosed
US-10987359-B2 Oxadiazepinone derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2021-04-27 US disclosed
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2020-06-25 US 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 (3 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-10987359-B2 Oxadiazepinone derivatives and methods of treating hepatitis B infections HCCS, SLC10A1, PYGL IDO1 549/4885HTR2A 3030/4885HTR2C 2588/4885
US-20210252014-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS IDO1 543/4885HTR2A 2140/4885HTR2C 2158/4885
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HCCS, SLC10A1, PYGL IDO1 549/4885HTR2A 3030/4885HTR2C 2588/4885

“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.