SCHEMBL22864253

SCHEMBL22864253

Cc1cc([C@@H](O)CNC(C)(C)C)c2cn[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 9/20 0.60
▸ ADRB2 P07550 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ TDO2 P48775 1/20 0.38
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL24630972 0.86 IDO1 (0.47) IDO1ADRB2HIF1AADRB1CYP2D6
SCHEMBL24630903 0.86 IDO1 (0.43) IDO1ADRB2HIF1AADRB1CYP2D6
SCHEMBL22864073 0.86 ADRB2 (0.45) IDO1ADRB2HIF1AADRB1CYP2D6
SCHEMBL22864235 0.84 METAP2 (0.42) IDO1ADRB2HIF1AADRB1CYP2D6
SCHEMBL24631007 0.84 IDO1 (0.42) IDO1ADRB2HIF1AADRB1CYP2D6
SCHEMBL24630926 0.84 ADRB2 (0.46) IDO1ADRB2HIF1AADRB1CYP2D6
SCHEMBL22864134 0.83 IDO1 (0.61) IDO1ADRB2HIF1AADRB1TSHR
SCHEMBL22864132 0.82 IDO1 (0.60) IDO1METAP2TDO2
SCHEMBL24631019 0.81 IDO1 (0.58) IDO1ADRB2ADRB1METAP2TDO2
SCHEMBL24630970 0.80 IDO1 (0.59) IDO1ADRB2HIF1AADRB1CYP2D6

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 IDO1 3184/4885ADRB2 1/4885HIF1A 2371/4885

“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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