SCHEMBL21606501

SCHEMBL21606501

CCOC(=O)c1cn(-c2ncc(Br)cc2OC(F)F)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 11/20 0.40
GABRB2 P47870 11/20 0.40
OPRK1 P41145 2/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MLYCD O95822 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21606455 0.90 GABRA2 (0.40) GABRA2GABRB2OPRK1GABRG2GABRB3
SCHEMBL21598069 0.88 RXFP1 (0.36) L3MBTL1KDM4EALDH1A1
SCHEMBL21598049 0.83 GABRA2 (0.52) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21606397 0.83 NOTUM (0.47) GABRA2GABRB2OPRK1GABRG2GABRB3
SCHEMBL21606347 0.77 GABRA2 (0.42) GABRA2GABRB2OPRK1GABRG2GABRB3
SCHEMBL21598060 0.77 RORC (0.45) OPRK1L3MBTL1ALDH1A1
SCHEMBL31309319 0.76 RXFP1 (0.45) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21606484 0.75 GABRA2 (0.48) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL21606471 0.74 GABRA2 (0.44) GABRA2GABRB2OPRK1GABRG2GABRB3
SCHEMBL21606475 0.74 RORC (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US 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 (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-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA GABRA2 1154/4885GABRB2 984/4885OPRK1 1354/4885

“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.