SCHEMBL20838367

SCHEMBL20838367

NCC(O)C(c1ccc(F)cc1)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
MAOB P27338 1/20 0.37
HTR2A P28223 1/20 0.37
GBA1 P04062 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 1/20 0.35
PNMT P11086 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35

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
SCHEMBL19346592 1.00 SLC6A2 (0.39) SLC6A2SLC6A4MAOBHTR2AGBA1
SCHEMBL29881279 1.00 SLC6A2 (0.39) SLC6A2SLC6A4MAOBHTR2AGBA1
SCHEMBL19346688 0.86 SLC6A2 (0.51) SLC6A2SLC6A4IDO1TDO2CYP3A4
SCHEMBL20838359 0.86 SLC6A2 (0.51) SLC6A2SLC6A4IDO1TDO2CYP3A4
SCHEMBL19346591 0.86 SLC6A2 (0.51) SLC6A2SLC6A4IDO1TDO2CYP3A4
SCHEMBL19329845 0.82 SLC6A4 (0.46) SLC6A2SLC6A4HTR2ACYP3A4CYP2D6
SCHEMBL19346524 0.82 SLC6A4 (0.46) SLC6A2SLC6A4HTR2ACYP3A4CYP2D6
SCHEMBL20838397 0.82 OPRM1 (0.42) SLC6A2SLC6A4MAOBGBA1CYP3A4
SCHEMBL20838427 0.82 SLC6A2 (0.42) SLC6A2SLC6A4PNMTGABBR2GABBR1
SCHEMBL20838426 0.82 SLC6A2 (0.42) SLC6A2SLC6A4PNMTGABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2022-09-27 US disclosed
EP-3426656-B1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2021-05-12 EP disclosed
US-10858366-B2 Tricyclic compounds useful to treat orthomyxovirus infections NOVARTIS AG (CH) 2020-12-08 US disclosed
US-20200347072-A1 Tricyclic Compounds Useful to Treat Orthomyxovirus Infections NOVARTIS AG (CH) 2020-11-05 US disclosed
US-20190092780-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2019-03-28 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 (4 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-10858366-B2 Tricyclic compounds useful to treat orthomyxovirus infections ZC3HAV1, OTC, THOP1 SLC6A2 3183/4885SLC6A4 3749/4885MAOB 1218/4885
US-20200347072-A1 Tricyclic Compounds Useful to Treat Orthomyxovirus Infections ZC3HAV1, OTC, THOP1 SLC6A2 3183/4885SLC6A4 3714/4885MAOB 1023/4885
US-11453677-B2 Tricyclic compounds useful to treat orthomyxovirus infections ZC3HAV1, OTC, THOP1 SLC6A2 3183/4885SLC6A4 3714/4885MAOB 1023/4885
US-20190092780-A1 TRICYCLIC COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS ZC3HAV1, OTC, THOP1 SLC6A2 3183/4885SLC6A4 3749/4885MAOB 1218/4885

“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.