SCHEMBL17660490

SCHEMBL17660490

CC(NCC(O)c1ccc2c(c1)COC(C)(C)O2)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
ADRB2 P07550 5/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRB3 P13945 3/20 0.38
ADRB1 P08588 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL5376680 0.87 ADRB3 (0.39) KMT2AMEN1CYP1A2CYP2D6TSHR
SCHEMBL4805990 0.87 ADRB3 (0.39) KMT2AMEN1CYP1A2CYP2D6TSHR
SCHEMBL21886540 0.84 APAF1 (0.36) KMT2AMEN1CYP1A2CYP2D6APAF1
SCHEMBL25708294 0.82 ADRB3 (0.47) KMT2AMEN1ADRB2ADRB3ADRA1D
SCHEMBL5401549 0.82 ADRB2 (0.39) KMT2AMEN1CYP1A2CYP2D6TSHR
SCHEMBL4801268 0.82 ADRB3 (0.47) KMT2AMEN1ADRB2ADRB3ADRA1D
SCHEMBL5391885 0.82 ADRB3 (0.45) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL2831936 0.81 ADRB2 (0.41) KMT2AMEN1CYP1A2TSHRHIF1A
SCHEMBL925596 0.81 ADRB2 (0.41) KMT2AMEN1CYP1A2TSHRHIF1A
SCHEMBL925593 0.81 ADRB2 (0.41) KMT2AMEN1CYP1A2TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3201171-B1 METHOD OF PREPARING INTERMEDIATE OF SALMETEROL AMPHASTAR NANJING PHARMACEUTICALS INC (CN) 2020-04-15 EP claimed
EP-3201171-B1 METHOD OF PREPARING INTERMEDIATE OF SALMETEROL AMPHASTAR NANJING PHARMACEUTICALS INC (CN) 2020-04-15 EP disclosed
US-9447067-B2 Method of preparing intermediate of salmeterol Amphastar Pahmaceuticals, Inc. (US) 2016-09-20 US disclosed
WO-2016054279-A1 METHOD OF PREPARING INTERMEDIATE OF SALMETEROL AMPHASTAR PHARMACEUTICALS, INC. (US) 2016-04-07 WO disclosed
US-20160096816-A1 METHOD OF PREPARING INTERMEDIATE OF SALMETEROL AMPHASTAR NANJING PHARMACEUTICALS INC. (CN) 2016-04-07 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-20160096816-A1 METHOD OF PREPARING INTERMEDIATE OF SALMETEROL HSD3B1, HSD3B2, MSMO1 KMT2A 1812/4885MEN1 163/4885CYP1A2 92/4885

“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.