SCHEMBL22481235

SCHEMBL22481235

CC(C)c1ncccc1[C@@H](O)CNC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.55
ADRB2 P07550 4/20 0.55
CYP2D6 P10635 3/20 0.55
ADRB1 P08588 2/20 0.55
NFKB1 P19838 2/20 0.55
BLM P54132 1/20 0.54
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.40
CYP1A2 P05177 1/20 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
SCHEMBL22481180 0.83 HIF1A (0.56) HIF1AADRB2CYP2D6ADRB1NFKB1
SCHEMBL22493460 0.83 HIF1A (0.56) HIF1AADRB2CYP2D6ADRB1NFKB1
SCHEMBL22480735 0.83 HIF1A (0.56) HIF1AADRB2CYP2D6ADRB1NFKB1
SCHEMBL22481143 0.82 ADRB2 (0.63) HIF1AADRB2CYP2D6ADRB1NFKB1
SCHEMBL22480736 0.82 HIF1A (0.55) HIF1AADRB2CYP2D6ADRB1NFKB1
SCHEMBL10586982 0.82 ADRB2 (0.55) HIF1AADRB2CYP2D6ADRB1NFKB1
SCHEMBL22480744 0.81 ADRB2 (0.51) HIF1AADRB2CYP2D6ADRB1NFKB1
SCHEMBL30704078 0.81 ADRB2 (0.51) HIF1AADRB2CYP2D6ADRB1NFKB1
SCHEMBL22481136 0.81 ADRB2 (0.54) HIF1AADRB2CYP2D6ADRB1NFKB1
SCHEMBL22480915 0.80 CYP2D6 (0.48) HIF1AADRB2CYP2D6ADRB1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263749-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. 2023-08-24 US disclosed
US-20230263749-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. 2023-08-24 US disclosed
US-20230157974-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230157974-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20220169612-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2022-06-02 US disclosed
US-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2021-12-02 US disclosed
US-11040944-B2 Beta adrenergic agonist and methods of using the same CURASEN THERAPEUTICS, INC. (US) 2021-06-22 US disclosed
US-10947196-B2 Beta adrenergic agonist and methods of using the same CURASEN THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20200308115-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2020-10-01 US disclosed
US-20200308114-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2020-10-01 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 (8 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-20200308114-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C HIF1A 2371/4885ADRB2 1/4885CYP2D6 946/4885
US-20200308115-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C HIF1A 2371/4885ADRB2 1/4885CYP2D6 946/4885
US-10947196-B2 Beta adrenergic agonist and methods of using the same ADRB2, ADRB1, ADRA2C HIF1A 2371/4885ADRB2 1/4885CYP2D6 946/4885
US-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C HIF1A 2371/4885ADRB2 1/4885CYP2D6 946/4885
US-11040944-B2 Beta adrenergic agonist and methods of using the same ADRB2, ADRB1, ADRA2C HIF1A 2371/4885ADRB2 1/4885CYP2D6 946/4885
US-20220169612-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRA2B, ADRB2, ADRB1 HIF1A 3024/4885ADRB2 2/4885CYP2D6 866/4885
US-20230263749-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS ADRA2A, SNCA, ADRA1A HIF1A 701/4885ADRB2 4/4885CYP2D6 3407/4885
US-20230157974-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS ADRA2A, SNCA, ADRA1A HIF1A 701/4885ADRB2 4/4885CYP2D6 3407/4885

“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.