SCHEMBL24631001

SCHEMBL24631001

CC(C)(C)NC[C@H](O)c1cccc2[nH]nc(C(F)F)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 7/20 0.46
▸ ADRB1 P08588 4/20 0.46
▸ HIF1A Q16665 3/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ BLM P54132 1/20 0.45
▸ GRK3 P35626 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP7 P55210 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
SCHEMBL22864107 0.85 ADRB2 (0.48) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL22864140 0.84 ADRB2 (0.49) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24631006 0.83 ADRB1 (0.47) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24630916 0.82 ADRB2 (0.55) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24630988 0.81 ADRB2 (0.47) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL22864094 0.80 ADRB2 (0.45) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24631039 0.79 ADRB2 (0.44) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24631033 0.77 ADRB1 (0.42) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24631035 0.75 ADRB2 (0.36) ADRB2ADRB1HIF1ACYP2D6NFKB1
SCHEMBL24630969 0.74 ADRB1 (0.50) ADRB2ADRB1HIF1ACYP2D6NFKB1

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 1/4885ADRB1 2/4885HIF1A 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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