SCHEMBL4907971

SCHEMBL4907971

CCOC(=O)c1cccc2c1ncn2CCC(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
USP2 O75604 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 4/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4915386 0.87 CRHBP (0.35) TBXAS1MEN1KMT2ACRHBPCRHR2
SCHEMBL4640258 0.85 BRD4 (0.35) ALDH1A1HTTKDM4ETRPM5
SCHEMBL4908687 0.82 TSHR (0.41) TBXAS1MEN1KMT2ATSHRALDH1A1
SCHEMBL4914665 0.79 ALDH1A1 (0.40) CRHBPCRHR2ALDH1A1HPGDKDM4E
SCHEMBL4640617 0.79 ALDH1A1 (0.40) CRHBPCRHR2ALDH1A1HPGDKDM4E
SCHEMBL4907499 0.78 NPC1 (0.45) MEN1KMT2AALDH1A1HPGD
SCHEMBL4911401 0.78 NPC1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL4648898 0.78 BRD4 (0.35) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL4916244 0.78 CRHBP (0.36) TBXAS1MEN1KMT2ACRHBPCRHR2
SCHEMBL4887298 0.77 ALDH1A1 (0.39) ALDH1A1KDM4E

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
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 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 (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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 TBXAS1 303/4885MEN1 2066/4885KMT2A 4734/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B TBXAS1 34/4885MEN1 3974/4885KMT2A 4585/4885

“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.