SCHEMBL4487262

SCHEMBL4487262

CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(CCC(=O)O)c(-c4ccccc4)sc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.56
ADRA1A P35348 11/20 0.56
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ADRB1 P08588 1/20 0.41

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
SCHEMBL4513399 0.92 ADRB3 (0.57) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL4477328 0.92 ADRB3 (0.54) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL4484189 0.84 ADRB3 (0.55) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL6907350 0.82 ADRB3 (0.66) ADRB3ADRA1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7110860 0.82 ADRB3 (0.65) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL1120785 0.82 ADRB3 (0.63) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL1120811 0.81 ADRB3 (0.59) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL1120810 0.81 ADRB3 (0.59) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL5195382 0.80 ADRB3 (0.67) ADRB3ADRA1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5196597 0.79 ADRB3 (0.66) ADRB3ADRA1ADRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US claimed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP 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 (3 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 ADRB3 810/4885ADRA1A 787/4885DRD2 695/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R ADRB3 5/4885ADRA1A 117/4885DRD2 76/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 ADRB3 1/4885ADRA1A 33/4885DRD2 98/4885

“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.