SCHEMBL20139645

SCHEMBL20139645

Cc1noc(C)c1-c1ccc([C@@H]2CNC[C@]2(C)c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.55
BRD4 O60885 7/20 0.44
NR1I2 O75469 1/20 0.41
GPR55 Q9Y2T6 1/20 0.40
BACE1 P56817 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ADAM17 P78536 1/20 0.38
BRD2 P25440 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MLYCD O95822 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL20139577 0.80 RORC (0.51) RORCNR1I2SLC6A2SLC6A3
SCHEMBL20139575 0.80 RORC (0.51) RORCNR1I2SLC6A2SLC6A3
SCHEMBL20149299 0.80 RORC (0.51) RORCNR1I2SLC6A2SLC6A3
SCHEMBL20139610 0.78 RORC (0.57) RORCNR1I2SLC6A2
SCHEMBL20139691 0.78 RORC (0.57) RORCNR1I2SLC6A2
SCHEMBL16404607 0.74 BRD4 (0.66) BRD4GPR55BRD2PTGS1PTGS2
SCHEMBL23713064 0.73 RORC (0.38) RORCBRD4GPR55BACE1SLC6A2
Trifluoroacetic Acid SCHEMBL20139646 0.72 RORC (0.52) RORCNR1I2SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL20139647 0.72 RORC (0.52) RORCNR1I2SLC6A2SLC6A4SLC6A3
SCHEMBL20139590 0.72 RORC (0.48) RORCNR1I2SLC6A2SLC6A3

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-11078186-B2 ROR γ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
EP-3538522-A1 ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (1 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-11078186-B2 ROR γ modulators RORB, RORC, RORA RORC 2/4885BRD4 2529/4885NR1I2 7/4885

“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.