SCHEMBL20149299

SCHEMBL20149299

C[C@@]1(c2ccc(F)cc2)CNC[C@@H]1c1ccc(-c2c(F)cccc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.51
NR1I2 O75469 1/20 0.49
DRD1 P21728 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM1A O60341 2/20 0.32
RCOR1 Q9UKL0 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
HPSE Q9Y251 1/20 0.31
TTR P02766 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
SCHEMBL20139575 1.00 RORC (0.51) RORCNR1I2DRD1NOS3NOS1
SCHEMBL20139577 1.00 RORC (0.51) RORCNR1I2DRD1NOS3NOS1
Trifluoroacetic Acid SCHEMBL20139646 0.90 RORC (0.52) RORCNR1I2SLC6A2SLC6A3TTR
Trifluoroacetic Acid SCHEMBL20139647 0.90 RORC (0.52) RORCNR1I2SLC6A2SLC6A3TTR
SCHEMBL20139691 0.87 RORC (0.57) RORCNR1I2DRD1KDM1ARCOR1
SCHEMBL20139610 0.87 RORC (0.57) RORCNR1I2DRD1KDM1ARCOR1
SCHEMBL20139590 0.84 RORC (0.48) RORCNR1I2DRD1KDM1ARCOR1
SCHEMBL20139625 0.84 RORC (0.48) RORCNR1I2DRD1KDM1ARCOR1
SCHEMBL23713083 0.83 RORC (0.46) RORCNR1I2DRD1
SCHEMBL20139645 0.80 RORC (0.55) 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 3 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
US-11078186-B2 ROR γ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US 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 2/4885NR1I2 7/4885DRD1 3085/4885

“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.