SCHEMBL7444422

SCHEMBL7444422

Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.82
EDNRA P25101 12/20 0.82
ACE P12821 1/20 0.54
ECE1 P42892 1/20 0.54
TACR1 P25103 2/20 0.54

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
SCHEMBL7443267 1.00 EDNRB (0.82) EDNRBEDNRAACEECE1TACR1
SCHEMBL29551459 1.00 EDNRB (0.82) EDNRBEDNRAACEECE1TACR1
SCHEMBL18222569 1.00 EDNRB (0.82) EDNRBEDNRAACEECE1TACR1
SCHEMBL8721945 0.96 EDNRB (0.78) EDNRBEDNRAACETACR1
SCHEMBL8721943 0.96 EDNRB (0.78) EDNRBEDNRAACETACR1
SCHEMBL18222567 0.96 EDNRB (0.78) EDNRBEDNRAACETACR1
SCHEMBL21427022 0.94 EDNRB (0.76) EDNRBEDNRAACEECE1
SCHEMBL8721117 0.94 EDNRB (0.76) EDNRBEDNRAACETACR1
SCHEMBL8722706 0.94 EDNRB (0.76) EDNRBEDNRAACETACR1
SCHEMBL8722703 0.94 EDNRB (0.76) EDNRBEDNRAACETACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160331783-A1 BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION 2016-11-17 US claimed
US-20210077562-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2021-03-18 US disclosed
US-20210077562-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2021-03-18 US disclosed
EP-3746110-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB Therapeutics, Inc. (US) 2020-12-09 EP disclosed
US-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2019-10-17 US disclosed
US-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2019-10-17 US disclosed
WO-2019191721-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. (US) 2019-10-03 WO disclosed
WO-2019191721-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. (US) 2019-10-03 WO disclosed
US-20160331783-A1 BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION 2016-11-17 US disclosed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO 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-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES EDNRB, EDNRA, LTB4R EDNRB 1/4885EDNRA 2/4885ACE 619/4885
US-20160331783-A1 BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN HBB, HBG2, HBG1 EDNRB 259/4885EDNRA 205/4885ACE 4369/4885
US-20210077562-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES EDNRB, EDNRA, LTB4R EDNRB 1/4885EDNRA 2/4885ACE 619/4885

“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.