SCHEMBL20504306

SCHEMBL20504306

CC(C)C1c2ncc(Cl)cc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.40
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
RORC P51449 1/20 0.39
ESR2 Q92731 1/20 0.37
AOC3 Q16853 2/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
GRM5 P41594 1/20 0.35
OPRK1 P41145 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
SCHEMBL20504307 1.00 GHSR (0.40) GHSRFNTAFNTBRORCESR2
SCHEMBL30139745 0.89 MEN1 (0.42) FNTAFNTBRORCESR2NR1H2
SCHEMBL16968531 0.89 MEN1 (0.42) FNTAFNTBRORCESR2NR1H2
SCHEMBL28682802 0.85 MDM2 (0.37) FNTAFNTBRORCESR2AOC3
SCHEMBL17695952 0.75 MEN1 (0.44) FNTAFNTBESR2NR1H2GRM5
SCHEMBL16972949 0.74 RORC (0.39) RORC
SCHEMBL16972952 0.74 RORC (0.39) RORC
SCHEMBL16968574 0.74 RORC (0.45) RORC
SCHEMBL16968573 0.74 RORC (0.45) RORC
SCHEMBL3067034 0.74 ESR2 (0.53) GHSRESR2NR1H2

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
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

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 GHSR 728/4885FNTA 872/4885FNTB 798/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA GHSR 728/4885FNTA 872/4885FNTB 798/4885

“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.