SCHEMBL20139629

SCHEMBL20139629

O=C(c1ccccc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 1.00
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
CHRM2 P08172 2/20 0.46
CHRM3 P20309 2/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL20139637 1.00 RORC (1.00) RORCCYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL16033505 0.91 RORC (0.83) RORCCYP3A4CYP2D6CYP2C19CYP1A2
SCHEMBL20141807 0.83 RORC (0.71) RORCKMT2AMEN1
SCHEMBL20139670 0.83 RORC (0.71) RORCKMT2AMEN1
SCHEMBL6998474 0.82 RORC (0.68) RORCCYP3A4CYP1A2CYP2C9ALDH1A1
SCHEMBL2197505 0.81 RORC (0.68) RORCCHRM2CHRM3
SCHEMBL4022773 0.79 RORC (0.64) RORCCYP3A4CYP1A2CYP2C9ALDH1A1
SCHEMBL4772415 0.79 RORC (0.64) RORCCYP3A4CYP1A2CYP2C9ALDH1A1
SCHEMBL12303485 0.78 RORC (0.64) RORCSIGMAR1
SCHEMBL1752470 0.78 RORC (0.64) RORCSIGMAR1

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
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

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 2/4885CYP3A4 273/4885CYP2D6 425/4885

“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.