SCHEMBL31414922

SCHEMBL31414922

CCOC(=O)C1(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.42
OPRD1 P41143 6/20 0.42
OPRK1 P41145 6/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
KCNA3 P22001 1/20 0.42
CTSL P07711 2/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL31414925 1.00 OPRM1 (0.42) OPRM1OPRD1OPRK1CYP3A4CYP2C19
SCHEMBL31414847 0.82 FABP4 (0.45) CTSLCTSBCTSSCTSK
SCHEMBL31414906 0.82 FABP4 (0.45) CTSLCTSBCTSSCTSK
SCHEMBL31414901 0.79 BDKRB1 (0.39) OPRM1CYP2C19ALDH1A1
SCHEMBL31414899 0.78 BDKRB1 (0.38) OPRM1OPRD1OPRK1CTSLCTSB
SCHEMBL31414870 0.76 BDKRB1 (0.42) OPRM1CTSL
SCHEMBL16989173 0.73 TACR3 (0.49) CTSLCTSSCTSK
SCHEMBL16989172 0.73 TACR3 (0.49) CTSLCTSSCTSK
SCHEMBL1740344 0.72 SMN1; SMN2 (0.50) OPRM1OPRD1OPRK1CTSLSLC22A1
SCHEMBL250886 0.70 TACR3 (0.49) CTSLCTSSCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026745-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF MIRUM PHARMACEUTICALS, INC. 2025-01-23 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 (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-20250026745-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B13, HSD17B1, HSD17B3 OPRM1 3963/4885OPRD1 1450/4885OPRK1 3492/4885

“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.