SCHEMBL31361992

SCHEMBL31361992

Nc1ccc(CCN(C[C@H](O)c2ccccc2)N=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
KDM4E B2RXH2 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SOAT1 P35610 1/20 0.36
ADRB2 P07550 1/20 0.35
GFER P55789 1/20 0.34
BCAT2 O15382 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL31362021 0.82 MEN1 (0.46) TAAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7116373 0.80 KDM4E (0.47) AOC3MAOBMAOAKDM4ETAAR1
SCHEMBL7116379 0.80 KDM4E (0.47) AOC3MAOBMAOAKDM4ETAAR1
SCHEMBL20371139 0.79 TAAR1 (0.63) AOC3MAOBMAOAKDM4ETAAR1
SCHEMBL6623381 0.77 MAOB (0.46) AOC3MAOBMAOAKDM4ETAAR1
SCHEMBL16609243 0.75 CYP51A1 (0.42) AOC3MAOBMAOAKDM4ETAAR1
SCHEMBL31361990 0.74 ADRB3 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1ADRB2
SCHEMBL7116376 0.74 MEN1 (0.44) AOC3MAOBMAOAKDM4ETAAR1
SCHEMBL7122412 0.72 ADRB3 (0.46) AOC3KDM4ETAAR1MEN1KMT2A
SCHEMBL7694265 0.72 ADRB3 (0.46) AOC3KDM4ETAAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051295-A1 PROCESS FOR THE PREPARATION OF MIRABEGRON FREE FROM GENOTOXIC IMPURITIES ZYDUS LIFESCIENCES LIMITED (IN) 2025-02-13 US claimed
US-20250051295-A1 PROCESS FOR THE PREPARATION OF MIRABEGRON FREE FROM GENOTOXIC IMPURITIES ZYDUS LIFESCIENCES LIMITED (IN) 2025-02-13 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-20250051295-A1 PROCESS FOR THE PREPARATION OF MIRABEGRON FREE FROM GENOTOXIC IMPURITIES UGT1A6, UGT1A1, UGT1A3 AOC3 2779/4885MAOB 1525/4885MAOA 1589/4885

“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.