SCHEMBL24630925

SCHEMBL24630925

Cc1n[nH]c2cccc([C@@H](O)CNCC(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ MAP2K4 P45985 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ MAPK6 Q16659 1/20 0.33
▸ ADRB1 P08588 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CDK8 P49336 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL24630994 0.86 ADRB2 (0.36) ADRB2KDM4EALDH1A1ADRB1L3MBTL1
SCHEMBL24630993 0.85 ADRB2 (0.48) ADRB2ADRB1ADRA2AADRB3CYP1A2
SCHEMBL22864140 0.82 ADRB2 (0.49) ADRB2KDM4EALDH1A1ADRB1ADRB3
SCHEMBL24630979 0.81 SIGMAR1 (0.40) ADRB2KDM4EADRB1MEN1KMT2A
SCHEMBL24630995 0.79 ADRB2 (0.31) ADRB2MAPK1MAP2K4MAPKAPK2MAPK6
SCHEMBL24630996 0.79 LMNA (0.40) ADRB2KDM4EADRB1
SCHEMBL24630913 0.79 ADRB2 (0.37) ADRB2KDM4EALDH1A1MAPK1MAP2K4
SCHEMBL24630930 0.77 ADRB2 (0.30) ADRB2
SCHEMBL18368384 0.75 CYP1A2 (0.41) KDM4EALDH1A1MAPK1MAP2K4MAPKAPK2
SCHEMBL24630927 0.75 IDO1 (0.59) IDO1

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 1/4885KDM4E 4707/4885ALDH1A1 802/4885

“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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