SCHEMBL3062667

SCHEMBL3062667

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@@H](OS(=O)(=O)c3ccc(Br)cc3)C[C@H]1C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ CYP3A4 P08684 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL2158582 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4ALDH1A1
SCHEMBL13509446 0.94 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13248788 0.94 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13051895 0.94 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13509392 0.94 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13509408 0.94 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13834716 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4ALDH1A1
SCHEMBL2130977 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4ALDH1A1
SCHEMBL9958315 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4ALDH1A1
SCHEMBL2130975 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805726-B1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2018-05-02 — — EP disclosed
US-9309279-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-04-12 — — US disclosed
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 — — US disclosed
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 — — US disclosed
EP-2805726-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2014-11-26 — — EP disclosed
EP-2468285-B1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2014-10-15 — — EP disclosed
US-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-05-29 — — US disclosed
EP-2468287-B1 Macrocyclic hepatitis c serine protease inhibitors ENANTA PHARM INC (US) 2014-04-23 — — EP disclosed
EP-2468286-B1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2014-04-23 — — EP disclosed
EP-2340029-B1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2014-03-05 — — EP disclosed
US-8642538-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-02-04 — — US disclosed
US-8420596-B2 Macrocyclic hepatitis C serine protease inhibitors ABBOTT LABORATORIES (US) 2013-04-16 — — US disclosed
US-20120196792-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-08-02 — — US disclosed
EP-2468285-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2012-06-27 — — EP disclosed
EP-2468286-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2012-06-27 — — EP disclosed
EP-2468287-A1 Macrocyclic hepatitis c serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2012-06-27 — — EP disclosed
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. 2010-06-10 — — US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 — — US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 — — 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 (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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 ADRB3 4392/4885ADRA2B 4459/4885ADRA2C 4176/4885
US-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 ADRB3 3933/4885ADRA2B 4558/4885ADRA2C 3776/4885
US-20120196792-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 ADRB3 3933/4885ADRA2B 4558/4885ADRA2C 3776/4885
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors TMPRSS15, PRSS1, SPINT2 ADRB3 3933/4885ADRA2B 4558/4885ADRA2C 3776/4885

“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.

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