SCHEMBL25530508

SCHEMBL25530508

COC(=O)CCC[N+](C)(C)CCN

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.52
▸ BBOX1 O75936 6/20 0.44
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ GLA P06280 1/20 0.34

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
SCHEMBL25530468 0.93 TSHR (0.48) TSHRBBOX1LMNAKDM4EALDH1A1
SCHEMBL25541415 0.83 TSHR (0.38) TSHRBBOX1LMNAKDM4EALDH1A1
SCHEMBL16417786 0.81 BBOX1 (0.63) TSHRBBOX1LMNAKDM4EALDH1A1
SCHEMBL15876373 0.80 BBOX1 (0.59) TSHRBBOX1LMNAALDH1A1MEN1
SCHEMBL23016767 0.79 HTT (0.56) TSHRLMNAKMT2ACA12CA14
Bromide SCHEMBL13731886 0.79 BBOX1 (0.61) TSHRBBOX1LMNAALDH1A1MEN1
SCHEMBL25530704 0.79 TSHR (0.39) TSHRLMNAKDM4EALDH1A1MEN1
SCHEMBL16417788 0.78 TSHR (0.54) TSHRBBOX1LMNAKDM4EALDH1A1
Bromide SCHEMBL1672731 0.78 BBOX1 (0.57) TSHRBBOX1LMNAALDH1A1MEN1
Carpronium SCHEMBL195274 0.77 TSHR (0.64) TSHRLMNAKDM4EALDH1A1MEN1

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-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-06-01 — — 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-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 TSHR 948/4885BBOX1 3187/4885LMNA 385/4885

“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.

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