SCHEMBL29623596

SCHEMBL29623596

NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1

nearest known ligand 0.98

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.98
ADRB1 P08588 20/20 0.98
ADRB3 P13945 20/20 0.98
CYP3A4 P08684 1/20 0.78
HTR1A P08908 1/20 0.78
CYP2D6 P10635 1/20 0.78
HTR1B P28222 1/20 0.78

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
SCHEMBL3395219 1.00 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL185829 1.00 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL185830 1.00 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL30480361 1.00 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4808416 1.00 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4808428 1.00 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL5265393 0.99 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL3958888 0.99 ADRB2 (0.98) ADRB2ADRB1ADRB3CYP3A4HTR1A
Sulfamate SCHEMBL4800865 0.99 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A
SCHEMBL4805616 0.98 ADRB2 (1.00) ADRB2ADRB1ADRB3CYP3A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649209-B2 Crystalline freebase forms of a biphenyl compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-05-16 US disclosed
US-20220306580-A1 CRYSTALLINE FREEBASE FORMS OF A BIPHENYL COMPOUND THERAVANCE BIOPHARMA R&D IP LLC (US) 2022-09-29 US disclosed
US-20220306579-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-09-29 US disclosed
US-11390603-B2 Crystalline forms of a biphenyl compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-07-19 US disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN 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 (4 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-11649209-B2 Crystalline freebase forms of a biphenyl compound TBCB, FFAR1, CRYAB ADRB2 1997/4885ADRB1 865/4885ADRB3 1652/4885
US-11390603-B2 Crystalline forms of a biphenyl compound FFAR1, FFAR4, FFAR3 ADRB2 2730/4885ADRB1 1439/4885ADRB3 2164/4885
US-20220306579-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ADRB2 14/4885ADRB1 7/4885ADRB3 13/4885
US-20220306580-A1 CRYSTALLINE FREEBASE FORMS OF A BIPHENYL COMPOUND TBCB, FFAR1, CRYAB ADRB2 1997/4885ADRB1 865/4885ADRB3 1652/4885

“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.