SCHEMBL22490214

SCHEMBL22490214

CC(C)(COc1ccccc1)NCCc1cccc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
IDH2 P48735 3/20 0.37
IDH1 O75874 2/20 0.37
KCNH2 Q12809 1/20 0.37
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
ADRB1 P08588 1/20 0.36
MAPT P10636 2/20 0.35
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
CASR P41180 1/20 0.34
GRM5 P41594 1/20 0.33
PKM P14618 1/20 0.33
MAOB P27338 1/20 0.33
SYK P43405 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL26049444 0.79 ADRB1 (0.51) IDH2IDH1KCNH2HCRTR1HCRTR2
SCHEMBL22493430 0.78 ADRB1 (0.39) ADAMTS4MMP13IDH2IDH1KCNH2
SCHEMBL22480867 0.78 ADRB1 (0.39) ADAMTS4MMP13IDH2IDH1KCNH2
SCHEMBL22480869 0.78 ADRB1 (0.66) ADAMTS4MMP13IDH2IDH1ADRB1
SCHEMBL22481213 0.78 ADRB1 (0.66) ADAMTS4MMP13IDH2IDH1ADRB1
SCHEMBL22493429 0.76 CASR (0.46) KCNH2MAPTCASR
SCHEMBL7913813 0.71 CYP2D6 (0.56) DRD3CASR
SCHEMBL22493239 0.70 ADRB1 (0.41) IDH2IDH1KCNH2HCRTR1HCRTR2
SCHEMBL22481150 0.69 IDH1 (0.44) ADAMTS4MMP13IDH2IDH1ADRB1
SCHEMBL28914699 0.68 KCNH2 (0.66) KCNH2MAPTGRM5

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 7 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20200308115-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C ADAMTS4 4551/4885MMP13 4643/4885IDH2 4164/4885
US-10947196-B2 Beta adrenergic agonist and methods of using the same ADRB2, ADRB1, ADRA2C ADAMTS4 4551/4885MMP13 4643/4885IDH2 4164/4885
US-20210371380-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C ADAMTS4 4551/4885MMP13 4643/4885IDH2 4164/4885
US-11040944-B2 Beta adrenergic agonist and methods of using the same ADRB2, ADRB1, ADRA2C ADAMTS4 4551/4885MMP13 4643/4885IDH2 4164/4885
US-20220169612-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRA2B, ADRB2, ADRB1 ADAMTS4 4796/4885MMP13 4488/4885IDH2 3772/4885
US-20230263749-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS ADRA2A, SNCA, ADRA1A ADAMTS4 4065/4885MMP13 3869/4885IDH2 2144/4885
US-20230157974-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS ADRA2A, SNCA, ADRA1A ADAMTS4 4065/4885MMP13 3869/4885IDH2 2144/4885

“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.