SCHEMBL2670949

SCHEMBL2670949

CCCCCC([O])OCCCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.41
DNM1 Q05193 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
OPRM1 P35372 1/20 0.39
FDPS P14324 4/20 0.38
SMPD1 P17405 3/20 0.38
CYP3A4 P08684 1/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
CA1 P00915 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7337862 0.98 ZDHHC7 (0.44) ZDHHC7DNM1LCKPPARDZDHHC20
SCHEMBL7339342 0.98 ZDHHC7 (0.44) ZDHHC7DNM1LCKPPARDZDHHC20
SCHEMBL2670779 0.95 DNM1 (0.45) ZDHHC7DNM1LCKPPARDZDHHC20
SCHEMBL4299442 0.93 DNM1 (0.48) ZDHHC7DNM1LCKPPARDZDHHC20
SCHEMBL10335706 0.93 DNM1 (0.48) ZDHHC7DNM1LCKPPARDZDHHC20
SCHEMBL15522266 0.93 DNM1 (0.48) ZDHHC7DNM1LCKPPARDZDHHC20
SCHEMBL2670678 0.93 DNM1 (0.48) ZDHHC7DNM1LCKPPARDZDHHC20
SCHEMBL4309898 0.93 DNM1 (0.48) ZDHHC7DNM1LCKPPARDZDHHC20
SCHEMBL11108585 0.93 DNM1 (0.48) ZDHHC7DNM1LCKPPARDZDHHC20
SCHEMBL2553275 0.93 DNM1 (0.48) ZDHHC7DNM1LCKPPARDZDHHC20

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 25 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
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-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
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-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2016-02-18 US disclosed
EP-2940019-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco, Inc. (JP) 2015-11-04 EP disclosed
EP-2540720-B1 1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE DERIVATIVE AND USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2015-04-15 EP disclosed
US-20140221380-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-08-07 US disclosed
WO-2005082459-A2 METHOD OF DECREASING BLOOD CELLS JAPAN TOBACCO INC. (JP) 2005-09-09 WO disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP 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

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

For each of this compound's patents that has machine-readable text (8 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 ZDHHC7 237/4885DNM1 3225/4885LCK 1176/4885
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 ZDHHC7 2571/4885DNM1 1102/4885LCK 368/4885
US-10065950-B2 Substituted thiazoles as HIV integrase inhibitors TYMP, TYMS, IMPDH1 ZDHHC7 2371/4885DNM1 1493/4885LCK 183/4885
US-20140221380-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 ZDHHC7 4275/4885DNM1 3093/4885LCK 571/4885
US-10087178-B2 Substituted spiropyrido[1,2-a]pyrazine derivative and medicinal use thereof as HIV integrase inhibitor IMPDH1, IMPDH2, SAV1 ZDHHC7 4127/4885DNM1 2593/4885LCK 894/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 ZDHHC7 4292/4885DNM1 2859/4885LCK 742/4885
US-20050187221-A1 Method of treating ischemia reperfusion injury TNF, IL1B, TNNI3 ZDHHC7 564/4885DNM1 1766/4885LCK 1376/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 ZDHHC7 4127/4885DNM1 2593/4885LCK 894/4885

“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.