SCHEMBL22493429

SCHEMBL22493429

COc1ccc(CC(C)(C)NCCc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.46
ADRB2 P07550 5/20 0.41
ADRB3 P13945 3/20 0.41
MAPT P10636 2/20 0.40
FABP4 P15090 2/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL22481179 0.79 ADRB1 (0.63) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL22481123 0.79 ADRB1 (0.63) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL22490229 0.78 SIGMAR1 (0.52) SLC6A4
SCHEMBL26049444 0.77 ADRB1 (0.51) CYP2D6KCNH2
SCHEMBL27435772 0.76 CASR (0.42) CASRADRB2ADRB3MAPTTP53
SCHEMBL22490214 0.76 ADAMTS4 (0.38) CASRMAPTKCNH2
SCHEMBL22481125 0.76 CASR (0.41) CASRADRB2ADRB3MAPTFABP4
SCHEMBL5527612 0.74 CASR (0.59) CASR
SCHEMBL22481150 0.70 IDH1 (0.44)
SCHEMBL29508554 0.70 CASR (0.58) CASRADRB2ADRB3CYP2D6SLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225021-A1 COMPOSITIONS AND METHODS FOR TREATING PATIENTS WITH AMYOTROPHIC LATERAL SCLEROSIS (ALS) CURASEN THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
US-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2021-12-02 US disclosed
WO-2020198466-A9 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020198466-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-10-01 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-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C CASR 675/4885ADRB2 1/4885ADRB3 4/4885

“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.