SCHEMBL21607282

SCHEMBL21607282

CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](O)CO1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.41
EPHX1 P07099 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 1/20 0.36
BTK Q06187 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 2/20 0.36
ACACB O00763 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28458597 1.00 HCRTR2 (0.41) HCRTR2EPHX1TDP1DRD2BTK
SCHEMBL28662052 0.87 HCRTR2 (0.45) HCRTR2EPHX1TDP1KMT2AMEN1
SCHEMBL28662054 0.87 HCRTR2 (0.45) HCRTR2EPHX1TDP1KMT2AMEN1
SCHEMBL21607409 0.84 HCRTR2 (0.39) HCRTR2EPHX1TDP1DRD2BTK
SCHEMBL21607408 0.84 HCRTR2 (0.39) HCRTR2EPHX1TDP1DRD2BTK
SCHEMBL21607705 0.84 HCRTR2 (0.39) HCRTR2EPHX1TDP1DRD2BTK
SCHEMBL28532985 0.84 HCRTR2 (0.39) HCRTR2EPHX1TDP1DRD2BTK
SCHEMBL8286393 0.84 DRD2 (0.39) HCRTR2EPHX1TDP1DRD2KMT2A
SCHEMBL21607699 0.84 HCRTR2 (0.39) HCRTR2EPHX1TDP1DRD2BTK
SCHEMBL2750096 0.84 HCRTR2 (0.47) HCRTR2EPHX1TDP1DRD2BTK

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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
WO-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES 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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA HCRTR2 981/4885EPHX1 1753/4885TDP1 2893/4885

“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.