SCHEMBL22864073

SCHEMBL22864073

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.45
▸ ADRB1 P08588 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ BLM P54132 1/20 0.44
▸ IDO1 P14902 6/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TDO2 P48775 1/20 0.39

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
SCHEMBL22864253 0.86 IDO1 (0.60) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL24630903 0.85 IDO1 (0.43) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL22864235 0.82 METAP2 (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL24630926 0.82 ADRB2 (0.46) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL24631007 0.82 IDO1 (0.42) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL24630972 0.82 IDO1 (0.47) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL24630970 0.79 IDO1 (0.59) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL17739208 0.79 IDO1 (0.47) IDO1METAP2TDO2
SCHEMBL24630891 0.77 ADRB1 (0.51) ADRB2ADRB1CYP2D6NFKB1HIF1A
SCHEMBL17739557 0.76 METAP2 (0.46) IDO1METAP2TDO2

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 2 patents. 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
WO-2021003161-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2021-01-07 — — WO 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 2/4885CYP2D6 946/4885

“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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