SCHEMBL1742170

SCHEMBL1742170

CCN1CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CHRM3 P20309 1/20 0.60

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
SCHEMBL5164169 0.91 CHRM3 (0.60) CHRM3
SCHEMBL29854483 0.87 CYP3A4 (0.58) CYP3A4CYP1A2CYP2D6
SCHEMBL17294772 0.87 BCHE (0.63)
SCHEMBL17294638 0.87 BCHE (0.63)
SCHEMBL17294642 0.87 BCHE (0.63)
SCHEMBL19049149 0.86 CHRM3 (0.58) CHRM3
SCHEMBL14461279 0.86 CHRM3 (0.57) CHRM3
SCHEMBL17294662 0.84 CYP2D6 (0.74) CYP3A4CYP1A2CYP2D6CHRM3
SCHEMBL1739564 0.84 CYP2D6 (0.74) CYP3A4CYP1A2CYP2D6CHRM3
SCHEMBL1872978 0.84 CYP2D6 (0.74) CYP3A4CYP1A2CYP2D6CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10207993-B2 Compounds as anti-tubercular agents SPHAERA PHARMA PVT. LTD. (IN) 2019-02-19 US claimed
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-11-23 US claimed
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-06-29 US claimed
EP-3148518-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS Sphaera Pharma Pvt. Ltd. (IN) 2017-04-05 EP claimed
WO-2015181837-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2015-12-03 WO claimed
WO-2014153099-A2 METHOD FOR USING EXHALED BREATH TO DETERMINE THE PRESENCE OF DRUG Pulmonary Analytics (US) 2014-09-25 WO claimed
US-20140288454-A1 Method For Using Exhaled Breath to Determine the Presence of Drug Pulmonary Analytics (US) 2014-09-25 US claimed
CN-119954297-A Rural domestic sewage treatment device and sewage treatment method based on SBR technology 蚌埠学院 2025-05-09 CN disclosed
WO-2024261775-A1 A DRUG-ANTAGONIST COMBINATION DOSAGE FORM PATEL JAYENDRAKUMAR DASHARATHLAL (IN) 2024-12-26 WO disclosed
EP-3148518-B1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PRIVATE LTD (IN) 2022-11-30 EP disclosed
EP-3148518-B1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PRIVATE LTD (IN) 2022-11-30 EP disclosed
CN-106659697-B Compounds as antituberculosis agents 斯菲叶尔制药私有公司 2022-03-29 CN disclosed
US-20210046014-A1 PHARMACEUTICAL ABUSE DETERRENT COMPOSITION CONSTRUCTED IN MORE THAN ONE STRENGTHS Patel, Jayendrakumar Dasharathlal (IN) 2021-02-18 US disclosed
US-20080207601-A1 Methods of and Compositions For the Prevention of Anxiety, Substance Abuse, and Dependence HYTHIAM , INC. (US) 2008-08-28 US disclosed
WO-2008086804-A2 USE OF I) A POLYGLYCOL AND N) AN ACTIVE DRUG SUBSTANCE FOR THE PREPARATION OF A PHARMACEUTICAL COMPOSITION FOR I) MITIGATING THE RISK OF ALCOHOL INDUCED DOSE DUMPING AND/OR II) REDUCING THE RISK OF DRUG ABUSE EGALET A/S (DK) 2008-07-24 WO disclosed
US-20080075772-A1 PHARMACEUTICAL COMPOSITIONS HAVING NOVEL SCORING PATTERNS AND METHODS OF USING THOSE COMPOSITIONS ACCU-BREAK TECHNOLOGIES, INC. 2008-03-27 US disclosed
EP-1868593-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE Hythiam, Inc. (US) 2007-12-26 EP disclosed
EP-1275645-B1 LABELED COMPOUNDS FOR MEASURING THE FUNCTION OF THE MUSCARINIC ACETYLCHOLINE NERVOUS SYSTEM HAMAMATSU PHOTONICS KK (JP) 2007-02-28 EP disclosed
WO-2006110642-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed
EP-1275645-A1 LABELED COMPOUNDS FOR MEASURING THE FUNCTION OF THE MUSCARINIC ACETYLCHOLINE NERVOUS SYSTEM HAMAMATSU PHOTONICS K. K. (JP) 2003-01-15 EP 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-10207993-B2 Compounds as anti-tubercular agents FNTB, G6PD, PGGT1B CYP3A4 527/4885CYP1A2 612/4885CYP2D6 865/4885
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 CYP3A4 1284/4885CYP1A2 1475/4885CYP2D6 1722/4885
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 CYP3A4 1284/4885CYP1A2 1475/4885CYP2D6 1722/4885

“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.