SCHEMBL628104

SCHEMBL628104

CCCCCC([O])OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.41
TP53 P04637 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
FDPS P14324 4/20 0.38
SMPD1 P17405 3/20 0.38
GPR84 Q9NQS5 3/20 0.37
CA1 P00915 2/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
LAP3 P28838 1/20 0.35

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
SCHEMBL7341648 0.98 ZDHHC7 (0.44) OPRM1ZDHHC7TP53LCKPPARD
SCHEMBL4839978 0.98 ZDHHC7 (0.44) OPRM1ZDHHC7TP53LCKPPARD
SCHEMBL7332033 0.98 ZDHHC7 (0.44) OPRM1ZDHHC7TP53LCKPPARD
SCHEMBL7336733 0.98 ZDHHC7 (0.44) OPRM1ZDHHC7TP53LCKPPARD
SCHEMBL7337998 0.98 ZDHHC7 (0.44) OPRM1ZDHHC7TP53LCKPPARD
SCHEMBL7335577 0.98 ZDHHC7 (0.44) OPRM1ZDHHC7TP53LCKPPARD
SCHEMBL628572 0.92
SCHEMBL2670779 0.85 DNM1 (0.45) OPRM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL2670949 0.85 ZDHHC7 (0.41) OPRM1ZDHHC7LCKPPARDZDHHC20
SCHEMBL2671272 0.85 ZDHHC7 (0.41) OPRM1ZDHHC7TP53LCKPPARD

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 63 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
WO-2020071470-A1 PHTHALOCYANINE COMPOUND AND USE THEREOF 山本化成株式会社 2020-04-09 WO 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
EP-1200390-A1 PRODUCTION OF N-SUBSTITUTED 2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYLAMIDES Speedel Pharma AG (CH) 2002-05-02 EP disclosed
EP-1180038-A2 ANTIFUNGAL COMBINATION USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-20 EP disclosed
WO-2002008172-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OCTANOYL AMIDES SPEEDEL PHARMA AG (CH) 2002-01-31 WO disclosed
WO-2002002508-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED OCTANOYL AMIDES SPEEDEL PHARMA AG (CH) 2002-01-10 WO disclosed
WO-2002002500-A1 PREPARATION OF (R)-2-ALKYL-3-PHENYLPROPIONIC ACIDS SPEEDEL PHARMA AG (CH) 2002-01-10 WO disclosed
WO-2002002487-A1 PROCESS FOR THE PREPARATION OF (R)-2-ALKYL-3-PHENYL-1-PROPANOLS SPEEDEL PHARMA AG (CH) 2002-01-10 WO disclosed
WO-2001009083-A1 PRODUCTION OF N-SUBSTITUTED 2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYLAMIDES SPEEDEL PHARMA AG (CH) 2001-02-08 WO disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
WO-2000072865-A2 ANTIFUNGAL COMBINATION USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-07 WO 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 (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-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 OPRM1 3617/4885ZDHHC7 2571/4885TP53 454/4885
US-10065950-B2 Substituted thiazoles as HIV integrase inhibitors TYMP, TYMS, IMPDH1 OPRM1 4068/4885ZDHHC7 2371/4885TP53 449/4885
US-10087178-B2 Substituted spiropyrido[1,2-a]pyrazine derivative and medicinal use thereof as HIV integrase inhibitor IMPDH1, IMPDH2, SAV1 OPRM1 3042/4885ZDHHC7 4127/4885TP53 1091/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 OPRM1 3332/4885ZDHHC7 4292/4885TP53 932/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 OPRM1 3042/4885ZDHHC7 4127/4885TP53 1091/4885

“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.