SCHEMBL22041240

SCHEMBL22041240

CC(C)c1cccnc1OC1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
LRRK2 Q5S007 4/20 0.36
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
HCRTR2 O43614 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CHRNA7 P36544 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
SCHEMBL24224724 0.93 LRRK2 (0.43) LRRK2ALOX5APFEN1
SCHEMBL26505588 0.92 LRRK2 (0.45) LRRK2ALOX5APFEN1
SCHEMBL26508867 0.89 LRRK2 (0.47) PDE10ALRRK2ALOX5APFEN1
SCHEMBL25786711 0.84 CYP19A1 (0.35) PDE10AHCRTR2GPR119CHRNA7
SCHEMBL22838721 0.79 LRRK2 (0.40) LRRK2ALOX5APFEN1
SCHEMBL11951662 0.78 PDE1A (0.44)
SCHEMBL23620142 0.78 LRRK2 (0.38) PDE10AHTR1AADRA2AADRA2BADRA2C
SCHEMBL30083020 0.76 APLNR (0.44)
SCHEMBL9968894 0.76 APLNR (0.44)
SCHEMBL21227318 0.76 TYK2 (0.40) PDE10ALRRK2HCRTR2GPR119

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-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
WO-2023227696-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
US-11053241-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-07-06 US disclosed
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 US 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 (3 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 PDE10A 4705/4885HTR1A 3942/4885ADRA2A 4295/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 PDE10A 4705/4885HTR1A 3942/4885ADRA2A 4295/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PDE10A 4705/4885HTR1A 3942/4885ADRA2A 4295/4885

“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.