SCHEMBL18668653

SCHEMBL18668653

CC(C)(C)OC(=O)N1C[C@@H]2CNC[C@@]2(C)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.41
NR1H2 P55055 2/20 0.39
RORC P51449 7/20 0.39
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 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
SCHEMBL22856279 1.00 JAK1 (0.41) JAK1NR1H2RORCUSP2SMN1; SMN2
SCHEMBL18668650 1.00 JAK1 (0.41) JAK1NR1H2RORCUSP2SMN1; SMN2
SCHEMBL24276487 1.00 JAK1 (0.41) JAK1NR1H2RORCUSP2SMN1; SMN2
SCHEMBL20397236 1.00 JAK1 (0.41) JAK1NR1H2RORCUSP2SMN1; SMN2
SCHEMBL22856045 0.86 JAK1 (0.40) JAK1NR1H2RORCUSP2SMN1; SMN2
SCHEMBL18668743 0.83 NR1H2 (0.40) JAK1NR1H2RORCUSP2SMN1; SMN2
SCHEMBL18668744 0.83 NR1H2 (0.40) JAK1NR1H2RORCUSP2SMN1; SMN2
SCHEMBL20397175 0.83 NR1H2 (0.40) JAK1NR1H2RORCUSP2SMN1; SMN2
SCHEMBL18247880 0.82 NR1H2 (0.40) JAK1NR1H2RORCUSP2SMN1; SMN2
SCHEMBL18247882 0.82 NR1H2 (0.40) JAK1NR1H2RORCUSP2SMN1; SMN2

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-20220112200-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2022-04-14 US disclosed
EP-3353181-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
EP-3353180-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-08-01 EP disclosed
WO-2017050747-A1 NEW BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 WO disclosed
WO-2017050732-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 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-20220112200-A1 HETEROCYCLIC COMPOUNDS FOR MEDIATING TYROSINE KINASE 2 ACTIVITY TYK2, JAK2, JAK1 JAK1 3/4885NR1H2 2166/4885RORC 159/4885

“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.