SCHEMBL22864235

SCHEMBL22864235

COc1cc([C@@H](O)CNC(C)(C)C)c2cn[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.42
▸ IDO1 P14902 7/20 0.42
▸ ADRB2 P07550 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ ADRB1 P08588 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BLM P54132 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ADRB3 P13945 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
SCHEMBL22864253 0.84 IDO1 (0.60) METAP2IDO1ADRB2CYP2D6HIF1A
SCHEMBL22864073 0.82 ADRB2 (0.45) METAP2IDO1ADRB2CYP2D6HIF1A
SCHEMBL24630903 0.82 IDO1 (0.43) METAP2IDO1ADRB2CYP2D6HIF1A
SCHEMBL24631007 0.81 IDO1 (0.42) IDO1ADRB2CYP2D6HIF1AADRB1
SCHEMBL24630972 0.81 IDO1 (0.47) METAP2IDO1ADRB2CYP2D6HIF1A
SCHEMBL24630926 0.81 ADRB2 (0.46) METAP2IDO1ADRB2CYP2D6HIF1A
SCHEMBL24630970 0.77 IDO1 (0.59) IDO1ADRB2CYP2D6HIF1AADRB1
SCHEMBL27051447 0.74 METAP2 (0.54) METAP2IDO1
SCHEMBL24630920 0.73 ADRB1 (0.40) ADRB2CYP2D6HIF1AADRB1NFKB1
SCHEMBL24630891 0.70 ADRB1 (0.51) ADRB2CYP2D6HIF1AADRB1NFKB1

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-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2022-10-06 — — US disclosed
WO-2021003161-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2021-01-07 — — WO 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-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C METAP2 922/4885IDO1 3184/4885ADRB2 1/4885

“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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