SCHEMBL5771626

SCHEMBL5771626

CC1Cc2c(O)cccc2N1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.44
BRD4 O60885 3/20 0.44
EP300 Q09472 1/20 0.44
RAB9A P51151 1/20 0.39
CHRM3 P20309 2/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL16729472 0.81 DRD2 (0.41) CHRM3DRD2DRD3CHRM2CHRM1
Bromide SCHEMBL16717336 0.80 DRD2 (0.40) CHRM3DRD2DRD3CHRM2CHRM1
Bromide SCHEMBL16717340 0.80 DRD2 (0.40) CHRM3DRD2DRD3CHRM2CHRM1
SCHEMBL9336652 0.78 CREBBP (0.51) CREBBPBRD4EP300RAB9AMEN1
SCHEMBL7809939 0.78 DRD2 (0.37) CREBBPRAB9ACHRM3DRD2DRD3
SCHEMBL12475566 0.77 CREBBP (0.44) CREBBPBRD4EP300RAB9ADRD2
SCHEMBL15311967 0.77 CREBBP (0.44) CREBBPBRD4EP300RAB9ADRD2
SCHEMBL15312070 0.77 CREBBP (0.44) CREBBPBRD4EP300RAB9ADRD2
SCHEMBL12476153 0.77 CREBBP (0.44) CREBBPBRD4EP300RAB9AMEN1
SCHEMBL11170515 0.77 BRD4 (0.44) CREBBPBRD4EP300RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3106453-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX TAKASAGO PERFUMERY CO LTD (JP) 2020-04-08 EP disclosed
US-9745229-B2 Method for producing optically active compound, and novel metal-diamine complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-08-29 US disclosed
US-9745229-B2 Method for producing optically active compound, and novel metal-diamine complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-08-29 US disclosed
EP-3106453-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX Takasago International Corporation (JP) 2016-12-21 EP disclosed
US-20160347678-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-12-01 US disclosed
US-20160347678-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-12-01 US disclosed
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 EP disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 US disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 US disclosed
WO-2012089633-A9 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-08-23 WO disclosed
WO-2012089633-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-07-05 WO disclosed
US-7666898-B2 Multivalent indole compounds and use thereof as phospholipase-A2 inhibitors ILYPSA, INC. (US) 2010-02-23 US disclosed
US-20090306171-A1 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. 2009-12-10 US disclosed
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
EP-1509515-A4 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2006-07-05 EP disclosed
EP-1509515-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-03-02 EP disclosed
WO-2003097806-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO[2,3-H]CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2003-11-27 WO 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-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS TYMP, PIK3CA, PDPK1 CREBBP 581/4885BRD4 1794/4885EP300 3412/4885
US-20070135385-A1 Methyl indoxam; obesity; dietectics; antidiabetic agents; insulin resistance; non-insulin dependent diabetes; glucose intolerance; hypercholesterolemia; hypertriglyceridemia; anticholesterol agents; metabolic disorders; foods;bioavailability; side effect reduction GPR119, INMT, PNLIP CREBBP 3125/4885BRD4 1474/4885EP300 2263/4885
US-20160347678-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND, AND NOVEL METAL-DIAMINE COMPLEX AOC1, ODC1, C5 CREBBP 3483/4885BRD4 2388/4885EP300 3778/4885
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 CREBBP 4769/4885BRD4 2355/4885EP300 4561/4885
US-20090306171-A1 INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS PLA2G1B, PLA2G2E, PLA2G4A CREBBP 3332/4885BRD4 824/4885EP300 1216/4885

“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.