SCHEMBL24972730

SCHEMBL24972730

CCCCCC(C)C#CCN

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
SPHK1 Q9NYA1 1/20 0.38
TP53 P04637 1/20 0.36
DNM1 Q05193 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.33
EPHX1 P07099 1/20 0.33
LAP3 P28838 1/20 0.32

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
SCHEMBL19433888 0.82 OPRM1 (0.40) OPRM1SPHK1TP53DNM1MEN1
SCHEMBL29647839 0.79 OPRM1 (0.48) OPRM1SPHK1DNM1TSHR
SCHEMBL16782308 0.79 OPRM1 (0.48) OPRM1SPHK1DNM1TSHR
SCHEMBL21878556 0.78 OPRM1 (0.39) OPRM1SPHK1TP53CA1
SCHEMBL23806431 0.78 OPRM1 (0.39) OPRM1SPHK1DNM1MEN1KMT2A
SCHEMBL27969022 0.76 OPRM1 (0.46) OPRM1SPHK1TP53DNM1LAP3
SCHEMBL30117301 0.75 OPRM1 (0.44) OPRM1SPHK1TP53DNM1CA1
SCHEMBL24604226 0.74 DNM1 (0.39) SPHK1DNM1MEN1KMT2AALDH1A1
SCHEMBL29678590 0.73 DNM1 (0.41) OPRM1DNM1ALDH1A1TSHRCA1
SCHEMBL2118765 0.73 OPRM1 (0.42) OPRM1SPHK1TP53DNM1CA1

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-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed
US-20230028359-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-01-26 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-20230028359-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 OPRM1 3231/4885SPHK1 3016/4885TP53 635/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 OPRM1 3231/4885SPHK1 3016/4885TP53 635/4885

“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.