SCHEMBL20140253

SCHEMBL20140253

Brc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 1.00
CCR5 P51681 4/20 0.53
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
GBA1 P04062 1/20 0.43
FUCA1 P04066 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL20140255 1.00 RORC (1.00) RORCCCR5DRD2DRD3BCHE
SCHEMBL23683614 0.84 RORC (0.72) RORCCCR5DRD2DRD3BCHE
SCHEMBL20139548 0.84 RORC (0.72) RORCCCR5DRD2DRD3BCHE
SCHEMBL23683607 0.84 RORC (0.72) RORCCCR5DRD2DRD3BCHE
SCHEMBL5188039 0.81 RORC (0.68) RORCCCR5DRD2DRD3BCHE
SCHEMBL5188045 0.81 RORC (0.68) RORCCCR5DRD2DRD3BCHE
SCHEMBL5188052 0.81 RORC (0.68) RORCCCR5DRD2DRD3BCHE
SCHEMBL20139698 0.79 RORC (0.65) RORCCCR5GBA1
SCHEMBL20139701 0.79 RORC (0.65) RORCCCR5GBA1
SCHEMBL20141240 0.78 RORC (0.64) RORCCCR5

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 2/4885CCR5 742/4885DRD2 3840/4885

“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.