SCHEMBL4894075

SCHEMBL4894075

CCOC(=O)c1cc2c(cn1)ncn2CCC(C)(C)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.43
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR1I2 O75469 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HPGD P15428 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL4892585 0.94 ADRB3 (0.43) ADRB3ALDH1A1NPSR1NR1I2ADRB2
SCHEMBL4892568 0.94 ADRB3 (0.43) ADRB3ALDH1A1NPSR1NR1I2ADRB2
SCHEMBL4889571 0.94 ADRB3 (0.43) ADRB3ALDH1A1NPSR1NR1I2ADRB2
SCHEMBL4894128 0.91 ADRB3 (0.42) ADRB3NR1I2ADRB2ADRB1HPGD
SCHEMBL4892540 0.90 ADRB3 (0.43) ADRB3NR1I2ADRB2ADRB1HPGD
SCHEMBL4913365 0.90 ADRB3 (0.43) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL5468010 0.90 ADRB3 (0.43) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4840747 0.89 ADRB3 (0.42) ADRB3ALDH1A1NPSR1NR1I2ADRB2
Trifluoroacetic Acid SCHEMBL4840585 0.88 ADRB3 (0.41) ADRB3NR1I2ADRB2ADRB1HPGD
SCHEMBL2199546 0.88 ADRB3 (0.43) ADRB3ALDH1A1NR1I2HPGDOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US claimed
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 US disclosed
US-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-30 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-20080269281-A1 Novel Beta-Agonists, Method for Producing Them and Their Use as Drugs ADRB3, ADRB2, ADRB1 ADRB3 1/4885ALDH1A1 1087/4885NPSR1 593/4885

“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.