SCHEMBL614096

SCHEMBL614096

CCCCc1nc(C)n(Cc2scc(C)c2C(=O)O)c(=O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL6130087 0.88
SCHEMBL8979902 0.86
SCHEMBL9848932 0.86 PPARG (0.49)
SCHEMBL8031337 0.86
SCHEMBL8979871 0.86 AGTR1 (0.48)
Milfasartan SCHEMBL489256 0.85
SCHEMBL8028142 0.85
SCHEMBL9848928 0.84
SCHEMBL8018483 0.84
SCHEMBL9848939 0.83 AGTR1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389105-A4 METHOD OF TREATMENT MERCK & CO INC (US) 2005-08-17 EP claimed
EP-1389105-A1 METHOD OF TREATMENT Merck & Co., Inc. (US) 2004-02-18 EP claimed
US-20030073705-A1 Method of treatment SHAHINFAR SHAHNAZ (US) 2003-04-17 US claimed
WO-2002092081-A1 METHOD OF TREATMENT MERCK & CO., INC. (US) 2002-11-21 WO claimed
US-6300356-B1 ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF AN ANGIOTENSIN II RECEPTOR ANTAGONIST MERCK & CO., INC. 2001-10-09 US claimed
US-6201002-B1 ADMINISTERING IMIDAZOLE DERIVATIVE TO TREAT CONGESTIVE HEART FAILURE AND CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2001-03-13 US claimed
US-20250049881-A1 FORMULATIONS OF GUANYLATE CYCLSE C AGONISTS AND METHODS OF USE JPMORGAN CHASE BANK, N.A. 2025-02-13 US disclosed
US-12146003-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2024-11-19 US disclosed
US-20240287137-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2024-08-29 US disclosed
EP-3004138-B1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME BAUSCH HEALTH IRELAND LTD (IE) 2024-03-13 EP disclosed
US-20240002440-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS JPMORGAN CHASE BANK, N.A. 2024-01-04 US disclosed
US-11319346-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2022-05-03 US disclosed
US-20220119449-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME BAUSCH HEALTH IRELAND LIMITED (IE) 2022-04-21 US disclosed
WO-2006086653-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-08-17 WO disclosed
US-20060160834-A1 Combination therapy for the treatment of hypertension MERCK & CO., INC. 2006-07-20 US disclosed
EP-1389105-A4 METHOD OF TREATMENT MERCK & CO INC (US) 2005-08-17 EP disclosed
US-20040116510-A1 Antihypertensive agent and cholesterol absorption inhibitor combination therapy NICHTBERGER STEVEN A (US) 2004-06-17 US disclosed
EP-1389105-A1 METHOD OF TREATMENT Merck & Co., Inc. (US) 2004-02-18 EP disclosed
US-20030073705-A1 Method of treatment SHAHINFAR SHAHNAZ (US) 2003-04-17 US disclosed
WO-2002092081-A1 METHOD OF TREATMENT MERCK & CO., INC. (US) 2002-11-21 WO disclosed