SCHEMBL25756980

SCHEMBL25756980

CCCCCCC(C#CCN)CCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
DNM1 Q05193 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
EPHX1 P07099 1/20 0.36
SPHK1 Q9NYA1 2/20 0.35
LMNA P02545 1/20 0.34
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL23806431 0.96 OPRM1 (0.39) OPRM1DNM1MEN1KMT2AALDH1A1
SCHEMBL31230828 0.78 TSHR (0.36) OPRM1DNM1TSHRLMNA
SCHEMBL8941195 0.75 LMNA (0.37) OPRM1DNM1TSHRSPHK1LMNA
SCHEMBL24972730 0.75 OPRM1 (0.44) OPRM1DNM1MEN1KMT2AALDH1A1
SCHEMBL19432981 0.74 DNM1 (0.39) OPRM1DNM1MEN1KMT2AALDH1A1
SCHEMBL19434123 0.74 CYP3A4 (0.37) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL20331217 0.74 OPRM1 (0.37) OPRM1DNM1TSHRSPHK1LMNA
SCHEMBL7122689 0.72 DNM1 (0.42) DNM1TSHR
SCHEMBL9374804 0.72 SPHK1 (0.41) OPRM1DNM1TSHRSPHK1LMNA
SCHEMBL14989365 0.72 SPHK1 (0.41) OPRM1DNM1TSHRSPHK1LMNA

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-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 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-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 OPRM1 3231/4885DNM1 2603/4885MEN1 2745/4885

“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.