SCHEMBL24630970

SCHEMBL24630970

CC(C)(C)NC[C@H](O)c1cccc2[nH]ncc12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 6/20 0.59
▸ ADRB1 P08588 2/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ BLM P54132 1/20 0.49
▸ DHPS P49366 1/20 0.41
▸ AXL P30530 2/20 0.40
▸ NOS1 P29475 3/20 0.40

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
SCHEMBL22864071 0.88 IDO1 (0.55) IDO1ADRB1ADRB2CYP2D6NFKB1
SCHEMBL29236958 0.83 IDO1 (0.55) IDO1DHPSAXLNOS1
SCHEMBL29236955 0.83 IDO1 (0.55) IDO1DHPSAXLNOS1
SCHEMBL29236956 0.83 IDO1 (0.55) IDO1DHPSAXLNOS1
SCHEMBL31046423 0.83 IDO1 (0.55) IDO1DHPSAXLNOS1
SCHEMBL22864292 0.82 IDO1 (0.60) IDO1ADRB1ADRB2HIF1AAXL
SCHEMBL24630927 0.81 IDO1 (0.59) IDO1AXLNOS1
SCHEMBL22864253 0.80 IDO1 (0.60) IDO1ADRB1ADRB2CYP2D6NFKB1
SCHEMBL22864073 0.79 ADRB2 (0.45) IDO1ADRB1ADRB2CYP2D6NFKB1
SCHEMBL24630903 0.79 IDO1 (0.43) IDO1ADRB1ADRB2CYP2D6NFKB1

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-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2022-10-06 — — 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-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C IDO1 3184/4885ADRB1 2/4885ADRB2 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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