SCHEMBL21490952

SCHEMBL21490952

O=C(O)c1ccc2c(C3CC3)n(C[C@H]3CC[C@H](C(F)(F)F)CC3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
PTGER4 P35408 13/20 0.38
P2RY14 Q15391 3/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL21490971 0.82 GRM2 (0.33) KDM4C
SCHEMBL21509316 0.82 RORC (0.33) KDM4CPTGER4P2RY14
SCHEMBL21490995 0.78 RORC (0.59)
SCHEMBL21490996 0.78 RORC (0.59)
SCHEMBL23346190 0.76 RORC (0.63)
SCHEMBL23319440 0.76 RORC (0.62)
SCHEMBL21509371 0.76 RORC (0.62)
SCHEMBL23319442 0.76 RORC (0.63)
SCHEMBL21491054 0.76 RORC (0.63)
SCHEMBL20504278 0.76 RORC (0.63)

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 7 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
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
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 KDM4C 4049/4885PTGER4 1106/4885P2RY14 2555/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA KDM4C 4049/4885PTGER4 1106/4885P2RY14 2555/4885

“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.