SCHEMBL2670936

SCHEMBL2670936

CCCCOC([O])CCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DNM1 Q05193 3/20 0.37
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FDPS P14324 1/20 0.36
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2670949 0.92 ZDHHC7 (0.41) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2671068 0.92 DNM1 (0.45) DNM1CA2CA1
SCHEMBL2670445 0.90 DNM1 (0.48) DNM1CA2CA1
SCHEMBL7339342 0.90 ZDHHC7 (0.44) DNM1TSHRFDPS
SCHEMBL7337862 0.90 ZDHHC7 (0.44) DNM1TSHRFDPS
SCHEMBL2671475 0.90 DNM1 (0.36) CYP3A4DNM1CA2CA1TSHR
SCHEMBL338955 0.90 CYP3A4 (0.39) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2670779 0.87 DNM1 (0.45) DNM1CA2CA1FDPS
SCHEMBL5961136 0.86 ALOX5 (0.33) CYP3A4ALDH1A1DNM1CA2CA1
SCHEMBL4299442 0.85 DNM1 (0.48) DNM1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107072993-B Pharmaceutical containing sodium-dependent phosphate transporter inhibitor 中外制药株式会社 2021-02-12 CN disclosed
CN-110938339-A Thermosetting release coating agent and laminated film 日本化工涂料株式会社 2020-03-31 CN disclosed
US-20180319798-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyrazine Derivative and Use of the Same as HIV Integrase Inhibitor JAPAN TOBACCO INC. (JP) 2018-11-08 US disclosed
US-10087178-B2 Substituted spiropyrido[1,2-a]pyrazine derivative and medicinal use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2018-10-02 US disclosed
US-20180265481-A1 METHOD FOR PREPARATION OF CERTAIN 1,5 DISUBSTITUTED TETRAZOLES LONZA LTD. (CH) 2018-09-20 US disclosed
US-10065950-B2 Substituted thiazoles as HIV integrase inhibitors JAPAN TOBACCO INC. (JP) 2018-09-04 US disclosed
EP-2940019-B1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2018-03-28 EP disclosed
EP-3221305-B1 METHOD FOR PREPARATION OF CERTAIN 1,5 DISUBSTITUTED TETRAZOLES LONZA AG (CH) 2018-03-07 EP disclosed
EP-3221305-A1 METHOD FOR PREPARATION OF CERTAIN 1,5 DISUBSTITUTED TETRAZOLES Lonza Ltd (CH) 2017-09-27 EP disclosed
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2017-02-16 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 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 (6 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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 CYP3A4 1000/4885ADRB2 673/4885ADRB1 668/4885
US-20180319798-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyrazine Derivative and Use of the Same as HIV Integrase Inhibitor IMPA1, IMPDH1, TYMP CYP3A4 181/4885ADRB2 2554/4885ADRB1 1637/4885
US-10065950-B2 Substituted thiazoles as HIV integrase inhibitors TYMP, TYMS, IMPDH1 CYP3A4 460/4885ADRB2 2576/4885ADRB1 1558/4885
US-10087178-B2 Substituted spiropyrido[1,2-a]pyrazine derivative and medicinal use thereof as HIV integrase inhibitor IMPDH1, IMPDH2, SAV1 CYP3A4 182/4885ADRB2 245/4885ADRB1 113/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 CYP3A4 182/4885ADRB2 245/4885ADRB1 113/4885
US-20180265481-A1 METHOD FOR PREPARATION OF CERTAIN 1,5 DISUBSTITUTED TETRAZOLES TST, CYP3A5, SULT1A1 CYP3A4 27/4885ADRB2 2935/4885ADRB1 2427/4885

“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.