SCHEMBL20869875

SCHEMBL20869875

Cc1c(CC(C)C)cnc2[nH]cnc12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ BLM P54132 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
SCHEMBL22047601 0.72 HPGD (0.36) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL2068070 0.72 CCR1 (0.40) HRH4HRH3ALDH1A1MEN1KMT2A
SCHEMBL3147727 0.69 DAO (0.44) MEN1KMT2A
SCHEMBL13201391 0.69 MEN1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL19413644 0.69 GABRA1 (0.34) ALDH1A1MEN1KMT2AP2RX3P2RX2
SCHEMBL30480258 0.66 BTK (0.37) MEN1KMT2ALMNA
SCHEMBL23733959 0.64 GABRA1 (0.44) ALDH1A1
SCHEMBL13636700 0.64 GABRP (0.42) ALDH1A1MEN1KMT2A
SCHEMBL18888882 0.64 HTT (0.33) ALDH1A1GLA
SCHEMBL12270784 0.63 MAP3K7 (0.50) —

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-10711013-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2020-07-14 — — US disclosed
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2019-04-04 — — 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-10711013-B2 Androgen receptor modulating compounds AR, NR5A1, SHBG HRH4 2291/4885HRH3 3401/4885ALDH1A1 570/4885
US-20190100536-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG HRH4 2291/4885HRH3 3401/4885ALDH1A1 570/4885

“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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