SCHEMBL4892955

SCHEMBL4892955

CCOC(=O)c1ccc2c(ncn2CCC(C)(C)NCC(O)c2cccc(NS(=O)(=O)c3ccccc3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.41
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
CYP2C9 P11712 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HPGD P15428 1/20 0.35
PIK3CD O00329 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
Trifluoroacetic Acid SCHEMBL4892203 0.97 ADRB3 (0.40) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4894375 0.94 ADRB3 (0.41) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4837960 0.91 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4891893 0.90 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4892190 0.89 NPSR1 (0.38) ADRB3ALDH1A1NPSR1POLBSMN1; SMN2
SCHEMBL4832542 0.89 ADRB3 (0.40) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4897148 0.89 ADRB3 (0.43) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4897137 0.89 ADRB3 (0.43) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4893736 0.89 ADRB3 (0.43) ADRB3ALDH1A1NPSR1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4830634 0.88 ADRB3 (0.40) ADRB3ADRB2ADRB1HPGDNR1I2

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-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
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.