SCHEMBL23522792

SCHEMBL23522792

CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN9A Q15858 1/20 0.39
LIPE Q05469 4/20 0.39
EIF2AK4 Q9P2K8 2/20 0.38
HSD11B1 P28845 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PIK3CD O00329 1/20 0.37
MAPT P10636 1/20 0.36
NPY5R Q15761 1/20 0.36
RORC P51449 1/20 0.36
SLC6A9 P48067 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
TACR1 P25103 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
SCHEMBL23522791 1.00 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19SCN9A
SCHEMBL23522793 1.00 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19SCN9A
SCHEMBL23523253 0.83 HRH3 (0.38) LIPEEIF2AK4HSD11B1HPGDSMN1; SMN2
SCHEMBL23523255 0.83 HRH3 (0.38) LIPEEIF2AK4HSD11B1HPGDSMN1; SMN2
SCHEMBL23523251 0.83 HRH3 (0.38) LIPEEIF2AK4HSD11B1HPGDSMN1; SMN2
SCHEMBL18406192 0.82 LIPE (0.45) LIPEMAPT
SCHEMBL9105307 0.81 POLB (0.56) CYP1A2POLBCYP3A4CYP2C19EIF2AK4
SCHEMBL23523171 0.81 HPGD (0.38) LIPEEIF2AK4HSD11B1HPGDSMN1; SMN2
SCHEMBL31664253 0.81 CPT2 (0.47) LIPEEIF2AK4HPGDSMN1; SMN2MAPT
SCHEMBL30017277 0.81 HPGD (0.38) LIPEEIF2AK4HSD11B1HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447479-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2022-09-20 US disclosed
US-20210188828-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-06-24 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 (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-20210188828-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 CYP1A2 816/4885POLB 941/4885CYP3A4 621/4885
US-11447479-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 CYP1A2 816/4885POLB 941/4885CYP3A4 621/4885

“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.