SCHEMBL24630978

SCHEMBL24630978

CC(C)NC[C@H](O)c1ccc2nc[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.52
▸ TSHR P16473 4/20 0.52
▸ ADRB1 P08588 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HIF1A Q16665 3/20 0.52
▸ ADRB3 P13945 2/20 0.52
▸ MTOR P42345 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ADRA1A P35348 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ NFKB1 P19838 1/20 0.52

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
SCHEMBL11476242 1.00 ADRB2 (0.52) ADRB2TSHRADRB1MAPTHIF1A
SCHEMBL11476231 0.89 ADRB2 (0.52) ADRB2TSHRADRB1MAPTHIF1A
SCHEMBL11474610 0.89 ADRB2 (0.52) ADRB2TSHRADRB1MAPTHIF1A
SCHEMBL11603315 0.89 ADRB2 (0.52) ADRB2TSHRADRB1MAPTHIF1A
Hydrochloric Acid SCHEMBL11487096 0.88 ADRB2 (0.54) ADRB2TSHRADRB1MAPTHIF1A
Hydrochloric Acid SCHEMBL11487093 0.88 ADRB2 (0.54) ADRB2TSHRADRB1MAPTHIF1A
SCHEMBL22864145 0.85 HTT (0.46) MAPTKDM4EMAPK1KMT2APOLB
SCHEMBL24631003 0.80 EPHX1 (0.49) ADRB2KDM4EMAPK1LMNAPOLB
SCHEMBL10467019 0.79 PRKCI (0.51) ADRB2TSHRADRB1MAPTHIF1A
SCHEMBL24631002 0.79 HTT (0.41) ADRB2TSHRADRB1MAPTHIF1A

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 1/4885TSHR 183/4885ADRB1 2/4885

“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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