SCHEMBL2773

SCHEMBL2773

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.51
LTB4R2 Q9NPC1 3/20 0.51
ABCB11 O95342 1/20 0.51
GP6 Q9HCN6 1/20 0.51
AGTR2 P50052 10/20 0.42

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
SCHEMBL8477037 1.00 AGTR1 (0.51) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2477 0.93 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8477555 0.91 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8477688 0.91 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL8524093 0.91 AGTR1 (0.50) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2439774 0.90 AGTR1 (0.48) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2529 0.90 AGTR1 (0.53) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL14958522 0.90 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL2692 0.90 AGTR1 (0.44) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL30929307 0.87 AGTR1 (0.41) AGTR1LTB4R2ABCB11GP6AGTR2

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 185 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11642329-B2 Amorphous solid form of compounds containing S—N-valeryl-N- {[2′-( 1 H-tetrazole-5-yl)-biphenyl-4-yl]-methyl}-valine and (2R,4S)-5-biphenyl-4-yl-4-(3-carboxy-propionylamino)-2-methyl-pentanoic acid ethyl ester moieties and sodium cations NOVARTIS PHARMACEUTICALS CORPORATION (US) 2023-05-09 US claimed
US-20220331282-A1 AMORPHOUS SOLID FORM OF COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-TETRAZOLE-5-YL)-BIPHENYL-4-YL]-METHYL}-VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND SODIUM CATIONS NOVARTIS PHARMACECUTICALS CORPORATION 2022-10-20 US claimed
US-20220257551-A1 AMORPHOUS SOLID FORM OF COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-TETRAZOLE-5-YL)-BIPHENYL-4-YL]-METHYL}-VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND SODIUM CATIONS NOVARTIS PHARMACEUTICALS CORPORATION 2022-08-18 US claimed
US-20220133694-A1 PHARMACEUTICAL USE NOVARTIS PHARMACEUTICALS CORPORATION 2022-05-05 US claimed
US-20210361610-A1 COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-TETRAZOLE-5-YL)-BIPHENYL-4-YL]-METHYL}-VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND CATIONS NOVARTIS PHARMACEUTICALS CORPORATION 2021-11-25 US claimed
US-20200276166-A1 METHODS OF TREATING NEUROLOGICAL DISORDERS UNIV CALIFORNIA (US) 2020-09-03 US claimed
EP-3685833-A1 COMPOUND COMPRISING AN ARB AND A NEPI Novartis AG (CH) 2020-07-29 EP claimed
US-20200016109-A1 COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-TETRAZOLE-5-YL)-BIPHENYL-4-YL]-METHYL}-VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND CATIONS NOVARTIS AG (CH) 2020-01-16 US claimed
WO-2017154017-A1 PROCESS FOR THE PREPARATION OF TRISODIUM (4-{[1S,3R)-1-([1,1'-BIPHENYL]-4-YLMETHYL)-4-ETHOXY-3-METHYL-4-OXOBUTYL]AMINO}-4-OXOBUTANOATE)-(N-PENTANOYL-N-{[2'-(1H-TETRAZOL-1-ID-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL}- L-VALINATE) AND ITS POLYMORPHS THEREOF MSN LABORATORIES LIMITED (IN) 2017-09-14 WO claimed
US-20160367530-A1 METHODS OF TREATING NEUROLOGICAL DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-22 US claimed
EP-1948158-B1 PHARMACEUTICAL COMBINATIONS OF AN ANGIOTENSIN RECEPTOR ANTAGONIST AND AN NEP INHIBITOR NOVARTIS AG (CH) 2014-01-29 EP claimed
US-20120058949-A1 Methods of Treating Neurological Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-03-08 US claimed
EP-2340828-A1 Pharmaceutical combinations of an angiotensin receptor antagonist and an nep inhibitor Novartis AG (CH) 2011-07-06 EP claimed
WO-2010065917-A1 METHODS OF TREATING NEUROLOGICAL DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-10 WO claimed
US-20090156585-A1 ORGANIC COMPOUNDS NOVARTIS PHARMACEUTICALS CORPORATION 2009-06-18 US claimed
EP-1393722-A2 Use of angiotensin II subtype 1 (AT1) antagonists for the manufacture of a medicament in the treatment of premenstrual syndrome DePadova, Anthony S. (US) 2004-03-03 EP claimed
EP-0759754-A4 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DEPADOVA ANTHONY S (US) 2000-07-05 EP claimed
US-5753651-A Use of AT1 antagonist such as irbesartan or candesartan cilexetil, among others; premenstrual syndrome (PMS) DEPADOVA ANTHONY S (US) 1998-05-19 US claimed
EP-0759754-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DePadova, Anthony S. (US) 1997-03-05 EP claimed
WO-1995029674-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DEPADOVA ANTHONY S (US) 1995-11-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20220133694-A1 PHARMACEUTICAL USE TNNT2, TNNI3, NPPA AGTR1 1236/4885LTB4R2 1417/4885ABCB11 14/4885
US-20210361610-A1 COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-TETRAZOLE-5-YL)-BIPHENYL-4-YL]-METHYL}-VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND CATIONS MME, DNPEP, ANPEP AGTR1 4/4885LTB4R2 1393/4885ABCB11 1638/4885
US-20220331282-A1 AMORPHOUS SOLID FORM OF COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-TETRAZOLE-5-YL)-BIPHENYL-4-YL]-METHYL}-VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND SODIUM CATIONS MME, DNPEP, AGTR1 AGTR1 3/4885LTB4R2 2298/4885ABCB11 2470/4885
US-11642329-B2 Amorphous solid form of compounds containing S—N-valeryl-N- {[2′-( 1 H-tetrazole-5-yl)-biphenyl-4-yl]-methyl}-valine and (2R,4S)-5-biphenyl-4-yl-4-(3-carboxy-propionylamino)-2-methyl-pentanoic acid ethyl ester moieties and sodium cations MME, DNPEP, AGTR1 AGTR1 3/4885LTB4R2 2312/4885ABCB11 1883/4885
US-20220257551-A1 AMORPHOUS SOLID FORM OF COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-TETRAZOLE-5-YL)-BIPHENYL-4-YL]-METHYL}-VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND SODIUM CATIONS MME, DNPEP, AGTR1 AGTR1 3/4885LTB4R2 2298/4885ABCB11 2470/4885
US-20090156585-A1 ORGANIC COMPOUNDS REN, AGTR1, AGTR2 AGTR1 2/4885LTB4R2 310/4885ABCB11 1222/4885
US-20200016109-A1 COMPOUNDS CONTAINING S-N-VALERYL-N-{[2'-(1H-TETRAZOLE-5-YL)-BIPHENYL-4-YL]-METHYL}-VALINE AND (2R,4S)-5-BIPHENYL-4-YL-4-(3-CARBOXY-PROPIONYLAMINO)-2-METHYL-PENTANOIC ACID ETHYL ESTER MOIETIES AND CATIONS MME, DNPEP, ANPEP AGTR1 4/4885LTB4R2 1393/4885ABCB11 1638/4885

“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.