SCHEMBL2009055

SCHEMBL2009055

COc1ccccc1-c1ccc(C=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.63
DRD2 P14416 1/20 0.63
DRD4 P21917 1/20 0.63
DRD5 P21918 1/20 0.63
DRD3 P35462 1/20 0.63
ERN1 O75460 1/20 0.54
PTPRC P08575 1/20 0.51
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
CYP2A6 P11509 1/20 0.48
XDH P47989 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
TTR P02766 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
AOX1 Q06278 1/20 0.44
TRIM24 O15164 1/20 0.44
HPGD P15428 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44

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
SCHEMBL23226724 0.84 DRD1 (0.50) DRD1DRD2DRD4DRD5DRD3
SCHEMBL421247 0.83 XDH (0.49) DRD1DRD2DRD4DRD5DRD3
SCHEMBL23226521 0.83 ERN1 (0.58) DRD1DRD2DRD4DRD5DRD3
SCHEMBL896204 0.81 XDH (0.47) DRD1DRD2DRD4DRD5DRD3
SCHEMBL24663368 0.81 ALDH1A1 (0.57) DRD1DRD2DRD4DRD5DRD3
SCHEMBL15937905 0.81 ERN1 (0.54) DRD1DRD2DRD4DRD5DRD3
SCHEMBL14834816 0.80 ALDH1A1 (0.61) ERN1PTPRCPTPN1ALDH1A1TSHR
SCHEMBL2002821 0.80 ERN1 (0.59) DRD1DRD2DRD4DRD5DRD3
SCHEMBL31227831 0.80 DRD1 (0.49) DRD1DRD2DRD4DRD5DRD3
SCHEMBL1666926 0.80 DRD1 (0.60) DRD1DRD2DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315486-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Tosoh Corporation (JP) 2018-05-02 EP disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use BASF SE (DE) 2012-05-03 US disclosed
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use BASF SE (DE) 2012-05-03 US disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 WO disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 US disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
US-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors ABBOTT LABORATORIES 2002-11-21 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 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 (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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 DRD1 796/4885DRD2 921/4885DRD4 1718/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK DRD1 2857/4885DRD2 2415/4885DRD4 3530/4885
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B DRD1 2966/4885DRD2 2023/4885DRD4 2729/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 DRD1 2015/4885DRD2 1154/4885DRD4 1405/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 DRD1 3127/4885DRD2 2003/4885DRD4 2850/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 DRD1 638/4885DRD2 699/4885DRD4 1481/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 DRD1 2015/4885DRD2 1154/4885DRD4 1405/4885
US-20120108819-A1 N-Heterocyclic Carbene Complexes, Their Preparation And Use CYCS, CYC1, CBR1 DRD1 512/4885DRD2 845/4885DRD4 1100/4885

“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.