SCHEMBL21606483

SCHEMBL21606483

CCOC(=O)c1cn(-c2ccc(Br)cc2F)c(CC)n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 15/20 0.52
GABRB2 P47870 15/20 0.52
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MLYCD O95822 1/20 0.41

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
SCHEMBL21598054 0.85 GABRA2 (0.51) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL29917885 0.85 GABRA2 (0.51) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21606465 0.85 GABRA2 (0.49) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21606689 0.84 GABRA2 (0.48) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21606484 0.84 GABRA2 (0.48) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21606460 0.80 GABRA2 (0.55) GABRA2GABRB2MLYCD
SCHEMBL778922 0.77 GABRA2 (0.50) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21598068 0.76 GABRA2 (0.44) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21606681 0.75 NR1H2 (0.49) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21606471 0.74 GABRA2 (0.44) GABRA2GABRB2GABRG2GABRB3GABRA5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
EP-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
CN-112334450-A Phenyl and pyridyl substituted imidazoles as modulators of ROR γ t 詹森药业有限公司 2021-02-05 CN disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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 (2 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-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA GABRA2 1319/4885GABRB2 1183/4885GABRG2 607/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA GABRA2 1154/4885GABRB2 984/4885GABRG2 1247/4885

“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.