SCHEMBL17209111

SCHEMBL17209111

CC(C)(C)OC(=O)N(CCc1ccc(NC(=O)Cc2csc(N)n2)cc1)C[C@H](O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.62
ADRB2 P07550 4/20 0.52
ADRB1 P08588 4/20 0.52
CYP2D6 P10635 2/20 0.49
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49
SCN5A Q14524 1/20 0.49
BACE1 P56817 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL16609237 1.00 ADRB3 (0.62) ADRB3ADRB2ADRB1CYP2D6SLC6A4
SCHEMBL28986806 0.88 ADRB3 (0.68) ADRB3ADRB2ADRB1CYP2D6SLC6A4
SCHEMBL28986807 0.88 ADRB3 (0.68) ADRB3ADRB2ADRB1CYP2D6SLC6A4
SCHEMBL6621610 0.88 ADRB3 (0.70) ADRB3ADRB2ADRB1CYP2D6SLC6A4
SCHEMBL15994158 0.88 ADRB3 (0.70) ADRB3ADRB2ADRB1CYP2D6SLC6A4
SCHEMBL16609338 0.88 ADRB3 (0.69) ADRB3ADRB2ADRB1CYP2D6SLC6A4
SCHEMBL21952232 0.88 ADRB3 (0.69) ADRB3ADRB2ADRB1CYP2D6SLC6A4
SCHEMBL29610257 0.82 ADRB3 (0.58) ADRB3ADRB2ADRB1CYP2D6SLC6A4
SCHEMBL25159572 0.82 ADRB3 (0.68) ADRB3ADRB2ADRB1CYP2D6SLC6A4
SCHEMBL31361990 0.82 ADRB3 (0.68) ADRB3ADRB2ADRB1CYP2D6SLC6A4

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
US-10253005-B2 Process for the preparation of Mirabegron alpha-form crystals AUROBINDO PHARMA LTD. (IN) 2019-04-09 US disclosed
US-20180194743-A1 A process for the preparation of Mirabegron alpha-Form crystals AUROBINDO PHARMA LTD (IN) 2018-07-12 US disclosed
US-20180194743-A1 A process for the preparation of Mirabegron alpha-Form crystals AUROBINDO PHARMA LTD (IN) 2018-07-12 US disclosed
WO-2015162536-A1 NOVEL PROCESS FOR PREPARATION OF MIRABEGRON AND IT'S INTERMEDIATE CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2015-10-29 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 (2 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-10253005-B2 Process for the preparation of Mirabegron alpha-form crystals GCGR, GLP1R, ADRB1 ADRB3 4/4885ADRB2 11/4885ADRB1 3/4885
US-20180194743-A1 A process for the preparation of Mirabegron alpha-Form crystals ADRB3, GCGR, ADRB1 ADRB3 1/4885ADRB2 11/4885ADRB1 3/4885

“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.