SCHEMBL327325

SCHEMBL327325

CCCCCCC(C)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
SHBG P04278 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL27676667 1.00 OPRM1 (0.39) OPRM1SHBGSPHK1SIGMAR1LMNA
SCHEMBL9202942 1.00 OPRM1 (0.39) OPRM1SHBGSPHK1SIGMAR1LMNA
SCHEMBL9206536 1.00 OPRM1 (0.39) OPRM1SHBGSPHK1SIGMAR1LMNA
SCHEMBL4490677 0.98 SHBG (0.41) SHBGSIGMAR1CYP1A2
SCHEMBL4723686 0.98 SHBG (0.41) SHBGSIGMAR1CYP1A2
SCHEMBL11677493 0.98 SHBG (0.41) SHBGSIGMAR1CYP1A2
SCHEMBL11085237 0.98 SHBG (0.41) SHBGSIGMAR1CYP1A2
SCHEMBL9213061 0.98 SHBG (0.41) SHBGSIGMAR1CYP1A2
SCHEMBL3421946 0.98 SHBG (0.41) SHBGSIGMAR1CYP1A2
SCHEMBL31122641 0.98 SHBG (0.41) SHBGSIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021219495-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-11-04 WO disclosed
US-20210338626-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-11-04 US disclosed
EP-2590973-B1 SOLIFENACIN SALTS CRYSTAL PHARMA SAU (ES) 2016-08-31 EP disclosed
US-9000045-B2 CETP activity inhibitors JAPAN TOBACCO INC. (JP) 2015-04-07 US disclosed
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2014-12-11 US disclosed
US-20140243414-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS JAPAN TOBACCO INC. (JP) 2014-08-28 US disclosed
WO-2014128206-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO disclosed
WO-2014128213-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO disclosed
EP-2769723-A1 Compounds for use in inhibiting HIV capsid assembly Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-27 EP disclosed
EP-2769722-A1 Compounds for use in inhibiting HIV capsid assembly Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-27 EP disclosed
US-20040225018-A1 administering S-[2-([[1-(2-ethylbutyl)cyclohexyl]carbonyl]amino)phenyl] 2-methylpropanethioate and a water-insoluble concentration-enhancing additive crospovidone, for treating or preventing a cardiovascular disorder in a mammal JAPAN TOBACCO INC. (JP) 2004-11-11 US disclosed
WO-2004082593-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS JAPAN TOBACCO INC. (JP) 2004-09-30 WO disclosed
US-6753346-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS JAPAN TOBACCO INC. (JP) 2004-06-22 US disclosed
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents JAPAN TOBACCO, INC., A JAPAN CORPORATION 2003-05-15 US disclosed
US-6426365-B1 Anticholesterol agents; Cholesterol ester transfer protein (CETP); including dalcetrapib, S-(2-(((1-(2-ethylbutyl)cyclohexyl)carbonyl)amino) phenyl) 2-methylpropanethioate JAPAN TOBACCO INC. (JP) 2002-07-30 US disclosed
EP-1020439-A1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC. (JP) 2000-07-19 EP disclosed
CN-1252053-A Cetp activity inhibitors JAPAN TOBACCO INC (JP) 2000-05-03 CN disclosed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 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 (5 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-20210338626-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION ACE, ACE2, REN OPRM1 4094/4885SHBG 1695/4885SPHK1 686/4885
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents CETP, CES1, PON1 OPRM1 2773/4885SHBG 795/4885SPHK1 766/4885
US-20140243414-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, NPC1L1, LCAT OPRM1 4747/4885SHBG 1745/4885SPHK1 723/4885
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA OPRM1 4832/4885SHBG 391/4885SPHK1 343/4885
US-20040225018-A1 administering S-[2-([[1-(2-ethylbutyl)cyclohexyl]carbonyl]amino)phenyl] 2-methylpropanethioate and a water-insoluble concentration-enhancing additive crospovidone, for treating or preventing a cardiovascular disorder in a mammal CETP, MTTP, PCTP OPRM1 2951/4885SHBG 1173/4885SPHK1 588/4885

“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.