SCHEMBL21490971

SCHEMBL21490971

FC(F)(F)[C@H]1CC[C@H](Cn2nc3cc(Br)ccc3c2C2CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33
SLC2A3 P11169 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
OPRM1 P35372 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 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
SCHEMBL21490952 0.82 KDM4C (0.38) KDM4C
SCHEMBL23346606 0.81 GRM2 (0.35) GRM2IDO1TDO2
SCHEMBL21491067 0.79 GRM2 (0.36) GRM2SLC2A1SLC2A2SLC2A3JAK2
SCHEMBL21490995 0.70 RORC (0.59)
SCHEMBL21490996 0.70 RORC (0.59)
SCHEMBL21509316 0.68 RORC (0.33) KDM4C
SCHEMBL21464819 0.65 GRM2 (0.43) GRM2KDM4C
SCHEMBL30608179 0.65 GRM2 (0.43) GRM2KDM4C
SCHEMBL20740599 0.64 HRH4 (0.35)
SCHEMBL17678224 0.63 GRM2 (0.47) GRM2SLC2A1SLC2A2SLC2A3

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
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
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 545/4885SLC2A1 3792/4885SLC2A2 3934/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA GRM2 545/4885SLC2A1 3792/4885SLC2A2 3934/4885

“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.