SCHEMBL24630891

SCHEMBL24630891

CC(C)(C)NC[C@H](O)c1ccc(Cl)c2[nH]ncc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 7/20 0.51
▸ ADRB2 P07550 6/20 0.51
▸ HIF1A Q16665 3/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ BLM P54132 1/20 0.50
▸ LMNA P02545 4/20 0.41
▸ TSHR P16473 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
▸ CYP3A4 P08684 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP2C9 P11712 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL24630966 0.86 ADRB2 (0.43) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL22864148 0.85 ADRB2 (0.42) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL24630990 0.85 ADRB2 (0.42) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL29593173 0.85 ADRB2 (0.42) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL28722151 0.85 ADRB2 (0.42) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL29593299 0.85 ADRB2 (0.42) ADRB1ADRB2HIF1ACYP2D6NFKB1
Hydrochloric Acid SCHEMBL29593393 0.84 BLM (0.43) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL24630920 0.82 ADRB1 (0.40) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL22864262 0.82 ADRB1 (0.41) ADRB1ADRB2HIF1ACYP2D6NFKB1
SCHEMBL22864261 0.81 ADRB2 (0.39) ADRB1ADRB2HIF1ACYP2D6NFKB1

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 ADRB1 2/4885ADRB2 1/4885HIF1A 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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