SCHEMBL24630926

SCHEMBL24630926

CC(C)(C)NC[C@H](O)c1cc(C(F)(F)F)cc2[nH]ncc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.46
▸ IDO1 P14902 6/20 0.44
▸ TDO2 P48775 6/20 0.44
▸ METAP2 P50579 7/20 0.42
▸ CYP1A2 P05177 4/20 0.42
▸ ADRB1 P08588 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL24630903 0.85 IDO1 (0.43) ADRB2IDO1METAP2ADRB1CYP2D6
SCHEMBL22864253 0.84 IDO1 (0.60) ADRB2IDO1TDO2METAP2ADRB1
SCHEMBL24631007 0.83 IDO1 (0.42) ADRB2IDO1ADRB1CYP2D6NFKB1
SCHEMBL22864073 0.82 ADRB2 (0.45) ADRB2IDO1TDO2METAP2ADRB1
SCHEMBL24630972 0.81 IDO1 (0.47) ADRB2IDO1METAP2CYP1A2ADRB1
SCHEMBL22864235 0.81 METAP2 (0.42) ADRB2IDO1METAP2ADRB1CYP2D6
SCHEMBL24630970 0.77 IDO1 (0.59) ADRB2IDO1ADRB1CYP2D6NFKB1
SCHEMBL16675979 0.76 METAP2 (0.52) IDO1TDO2METAP2CYP1A2TRPV1
SCHEMBL22864262 0.73 ADRB1 (0.41) ADRB2ADRB1CYP2D6NFKB1HIF1A
Hydrochloric Acid SCHEMBL31308499 0.72 METAP2 (0.49) IDO1TDO2METAP2CYP1A2TRPV1

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 ADRB2 1/4885IDO1 3184/4885TDO2 2122/4885

“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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