SCHEMBL3813236

SCHEMBL3813236

COc1ccc2c(c1)CC(=O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.52
DRD2 P14416 7/20 0.52
DRD5 P21918 7/20 0.52
DRD3 P35462 7/20 0.52
DRD4 P21917 5/20 0.52
METAP1 P53582 2/20 0.50
ALDH1A1 P00352 1/20 0.48
NFE2L2 Q16236 1/20 0.48
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL228868 0.93 DRD1 (0.56) DRD1DRD2DRD5DRD3DRD4
SCHEMBL14172824 0.90 DRD1 (0.56) DRD1DRD2DRD5DRD3DRD4
SCHEMBL43307 0.89 METAP1 (0.53) DRD1DRD2DRD5DRD3DRD4
SCHEMBL29940518 0.89 METAP1 (0.53) DRD1DRD2DRD5DRD3DRD4
SCHEMBL4041676 0.83 METAP1 (0.58) DRD1DRD2DRD5DRD3DRD4
SCHEMBL1506557 0.83 DRD1 (0.62) DRD1DRD2DRD5DRD3DRD4
SCHEMBL31028084 0.83 DRD1 (0.62) DRD1DRD2DRD5DRD3DRD4
SCHEMBL227363 0.82 CYP1A2 (0.60) DRD1DRD2DRD5DRD3DRD4
Sulfurous Acid SCHEMBL6400949 0.82 CYP1A2 (0.47) DRD1DRD2DRD5DRD3DRD4
SCHEMBL7510392 0.79 METAP1 (0.54) METAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553170-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2012-06-27 EP claimed
US-7531329-B2 Carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2009-05-12 US claimed
US-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION 2007-08-02 US claimed
US-20060035357-A1 Novel carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2006-02-16 US claimed
WO-2020212543-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-22 WO disclosed
WO-2015038868-A1 FUSED BICYCLIC 2,4-DIAMINOPYRIMIDINE DERIVATIVES CEPHALON, INC. (US) 2015-03-19 WO disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
US-8779154-B2 Fused ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2014-07-15 US disclosed
EP-1553170-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2012-06-27 EP disclosed
EP-2086983-A2 FUSED RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2009-08-12 EP disclosed
US-7531329-B2 Carbonyl reductase, gene thereof and method of using the same KANEKA CORPORATION (JP) 2009-05-12 US disclosed
US-20020006956-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-17 US disclosed
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
EP-0976720-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-02 EP disclosed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 WO disclosed
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 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 (2 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-20070178565-A1 Novel carbonyl reductase, gene thereof and method of using the same PYCR1, CBR3, CBR1 DRD1 2439/4885DRD2 3670/4885DRD5 2043/4885
US-20020006956-A1 Propanolamine derivatives PNLIP, ADRB1, FABP2 DRD1 167/4885DRD2 115/4885DRD5 317/4885

“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.