SCHEMBL25969912

SCHEMBL25969912

CC(C)(C)OC(=O)N1CCC[C@H]1CC(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.54
▸ CYP1A2 P05177 3/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ SLC18A2 Q05940 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CHRNB2 P17787 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ CHRNA7 P36544 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ OPRD1 P41143 1/20 0.46
▸ KDM1A O60341 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL20595718 1.00 CYP2D6 (0.54) CYP2D6CYP1A2HIF1ASLC18A2TSHR
SCHEMBL25969915 1.00 CYP2D6 (0.54) CYP2D6CYP1A2HIF1ASLC18A2TSHR
SCHEMBL6536075 1.00 CYP2D6 (0.54) CYP2D6CYP1A2HIF1ASLC18A2TSHR
SCHEMBL20595798 0.93 CYP2D6 (0.50) CYP2D6CYP1A2HIF1ASLC18A2TSHR
SCHEMBL25969813 0.88 ATM (0.45) CYP2D6CYP1A2HIF1ATSHRLMNA
SCHEMBL6012057 0.87 ATM (0.44) CYP2D6CYP1A2HIF1ALMNAHTR2A
SCHEMBL6535534 0.87 OPRD1 (0.45) TSHRLMNAOPRD1KDM1ANPC1
SCHEMBL1584144 0.86 OPRD1 (0.45) TSHRLMNAOPRD1KDM1ANPC1
SCHEMBL5177116 0.85 KDM1A (0.46) CYP2D6CYP1A2HIF1ALMNAOPRD1
SCHEMBL25981686 0.82 NR1H2 (0.44) TSHRLMNAOPRD1KDM1AMEN1

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-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 — — 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT CYP2D6 888/4885CYP1A2 4059/4885HIF1A 4157/4885

“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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