SCHEMBL20139610

SCHEMBL20139610

C[C@]1(c2ccc(F)cc2)CNC[C@H]1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.57
NR1I2 O75469 2/20 0.57
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
NPY5R Q15761 1/20 0.36
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 1/20 0.34
DRD1 P21728 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
SCHEMBL20139691 1.00 RORC (0.57) RORCNR1I2MAOAMAOBCHRNA1
SCHEMBL20139577 0.87 RORC (0.51) RORCNR1I2CHRNA1CHRNGCHRNB1
SCHEMBL20139575 0.87 RORC (0.51) RORCNR1I2CHRNA1CHRNGCHRNB1
SCHEMBL20149299 0.87 RORC (0.51) RORCNR1I2CHRNA1CHRNGCHRNB1
SCHEMBL20139625 0.86 RORC (0.48) RORCNR1I2CHRNA1CHRNGCHRNB1
SCHEMBL20139590 0.86 RORC (0.48) RORCNR1I2CHRNA1CHRNGCHRNB1
Trifluoroacetic Acid SCHEMBL20139646 0.81 RORC (0.52) RORCNR1I2SLC6A2
Trifluoroacetic Acid SCHEMBL20139647 0.81 RORC (0.52) RORCNR1I2SLC6A2
SCHEMBL20139890 0.79 RORC (0.61) RORCNR1I2
Hydrochloric Acid SCHEMBL20139686 0.78 RORC (0.60) RORCNR1I2

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
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
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 2/4885NR1I2 7/4885MAOA 3966/4885

“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.