SCHEMBL25967467

SCHEMBL25967467

CCCCC(N)C(C)CC(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
DPP8 Q6V1X1 3/20 0.33
DPP7 Q9UHL4 3/20 0.33
SPHK1 Q9NYA1 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
DPP4 P27487 2/20 0.33
DPP9 Q86TI2 2/20 0.33
TP53 P04637 2/20 0.32
SLC15A1 P46059 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP3A4 P08684 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL20663195 0.81 OPRM1 (0.46) OPRM1ALDH1A1TDP1DPP8DPP7
SCHEMBL24285156 0.79 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL18596484 0.79 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL1556477 0.79 OPRM1 (0.48) OPRM1ALDH1A1TDP1DPP8DPP7
SCHEMBL21936411 0.77 OPRM1 (0.42) OPRM1ALDH1A1TDP1SPHK1CA1
SCHEMBL7288247 0.77 OPRM1 (0.46) OPRM1ALDH1A1TDP1DPP8DPP7
SCHEMBL21765401 0.76 ALDH1A1 (0.33) OPRM1ALDH1A1TDP1CA1CA2
SCHEMBL22861741 0.75 TSHR (0.39) ALDH1A1TDP1CYP2D6CYP3A4GMNN
SCHEMBL516695 0.75 OPRM1 (0.56) OPRM1SPHK1CA1TP53CYP2D6
SCHEMBL11576761 0.75 ALDH1A1 (0.46) OPRM1ALDH1A1TDP1DPP8DPP7

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-20230257362-A1 TRIAZOLONE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-17 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-20230257362-A1 TRIAZOLONE COMPOUND WNK3, SLC10A1, WNK2 OPRM1 3594/4885ALDH1A1 1303/4885TDP1 2995/4885

“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.