SCHEMBL21491067

SCHEMBL21491067

FC(F)(F)[C@H]1CC[C@H](Cn2nc(C3CC3)c3ccc(Br)cc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
SLC22A12 Q96S37 1/20 0.34
HTR7 P34969 1/20 0.33
CNR1 P21554 5/20 0.32
GRM4 Q14833 3/20 0.32
SLC2A1 P11166 1/20 0.31
SLC2A2 P11168 1/20 0.31
SLC2A3 P11169 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
CNR2 P34972 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
SCHEMBL25005491 0.80 ESR1 (0.40) SLC22A12CNR1GRM4IDO1
SCHEMBL30224827 0.80 ESR1 (0.40) SLC22A12CNR1GRM4IDO1
SCHEMBL21490971 0.79 GRM2 (0.33) GRM2JAK2JAK1TYK2SLC2A1
SCHEMBL21464819 0.76 GRM2 (0.43) GRM2HTR7CNR1CNR2
SCHEMBL30608179 0.76 GRM2 (0.43) GRM2HTR7CNR1CNR2
SCHEMBL17678224 0.73 GRM2 (0.47) GRM2SLC22A12HTR7CNR1GRM4
SCHEMBL22152002 0.71 SLC22A12 (0.38) SLC22A12HTR7CNR1GRM4
SCHEMBL1964490 0.69 KDM4C (0.41) GRM2CNR1SLC2A1SLC2A2SLC2A3
SCHEMBL20752755 0.69 SLC22A12 (0.49) SLC22A12GRM4
SCHEMBL11975946 0.69 SLC22A12 (0.66) SLC22A12

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 4 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

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-11008340-B2 Modulators of ROR-gamma RORC, RORB, RORA GRM2 545/4885JAK2 272/4885JAK1 329/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA GRM2 545/4885JAK2 272/4885JAK1 329/4885

“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.