SCHEMBL629321

SCHEMBL629321

CC1CCc2cc(O)ccc2C1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.62
DRD2 P14416 11/20 0.53
DRD3 P35462 11/20 0.53
DRD4 P21917 6/20 0.53
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
ACHE P22303 3/20 0.51
CYP19A1 P11511 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR1A P08908 1/20 0.46
ADRB2 P07550 1/20 0.46
CYP2D6 P10635 1/20 0.46
CASP1 P29466 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL24540244 1.00 OPRK1 (0.62) OPRK1DRD2DRD3DRD4CA1
SCHEMBL18566685 1.00 OPRK1 (0.62) OPRK1DRD2DRD3DRD4CA1
SCHEMBL10247150 0.92 DRD3 (0.62) OPRK1DRD2DRD3DRD4CA1
SCHEMBL10247281 0.92 DRD3 (0.62) OPRK1DRD2DRD3DRD4CA1
SCHEMBL23474196 0.88 DRD2 (0.56) OPRK1DRD2DRD3DRD4CA1
SCHEMBL13799411 0.84 DRD2 (0.50) OPRK1DRD2DRD3DRD4CYP19A1
SCHEMBL14525564 0.81 HTR2A (0.46) OPRK1DRD2DRD3HTR1A
SCHEMBL1701464 0.78 OPRK1 (0.65) OPRK1DRD2DRD3DRD4CA1
SCHEMBL79036 0.78 ALDH1A1 (0.42) OPRK1DRD2ACHEDRD1LMNA
SCHEMBL12305071 0.78 MAPT (0.59) DRD2DRD1MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 EP disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 US disclosed
WO-2014125075-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2014-08-21 WO disclosed
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
EP-1332133-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP disclosed
EP-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 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-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 OPRK1 2778/4885DRD2 792/4885DRD3 574/4885
US-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC OPRK1 1994/4885DRD2 4698/4885DRD3 4750/4885

“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.