SCHEMBL4542012

SCHEMBL4542012

FC(F)Oc1ccc(CBr)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.49
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
SCN9A Q15858 1/20 0.33
PTGES O14684 10/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACACB O00763 2/20 0.32
ACACA Q13085 1/20 0.30

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
SCHEMBL27911123 0.86 DAO (0.53) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL30873233 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL4541422 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL16647726 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL29796918 0.81 ALDH1A1 (0.45) SCN9AACACBACACA
SCHEMBL30583901 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL29658850 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL7992234 0.81 DAO (0.52) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL29738527 0.81 DAO (0.52) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL26962241 0.81 ALDH1A1 (0.45) SCN9AACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108463458-B Modulators of ROR-gamma 生命医药有限责任公司 2022-02-01 CN disclosed
US-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 US disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 EP disclosed
US-20190322687-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC (US) 2019-10-24 US disclosed
EP-3377482-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2018-09-26 EP disclosed
CN-108463458-A MODULATORS OF ROR-GAMMA 生命医药公司 2018-08-28 CN disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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 (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-11008340-B2 Modulators of ROR-gamma RORC, RORB, RORA DAO 4683/4885HCRTR1 1259/4885HCRTR2 1522/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA DAO 4683/4885HCRTR1 1259/4885HCRTR2 1522/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R DAO 501/4885HCRTR1 2/4885HCRTR2 1/4885

“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.