SCHEMBL266906

SCHEMBL266906

NC1CCc2cccc(O)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.74
DRD3 P35462 3/20 0.74
CHRM3 P20309 2/20 0.58
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
PLAU P00749 1/20 0.55
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HTR1A P08908 3/20 0.51
HTR7 P34969 3/20 0.51
HTR1D P28221 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
HTR1B P28222 1/20 0.51

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
SCHEMBL265580 0.85 DRD2 (1.00) DRD2DRD3PLAUNFKB1THPO
SCHEMBL3318587 0.85 DRD2 (1.00) DRD2DRD3PLAUNFKB1THPO
SCHEMBL31681697 0.85 DRD2 (1.00) DRD2DRD3PLAUNFKB1THPO
SCHEMBL11981410 0.85 DRD2 (1.00) DRD2DRD3PLAUNFKB1THPO
Bromide SCHEMBL10358294 0.84 DRD2 (0.96) DRD2DRD3PLAUNFKB1THPO
SCHEMBL4813078 0.79 CHRM3 (0.65) DRD2DRD3CHRM3CHRM2CHRM1
SCHEMBL8822636 0.78 PLAU (0.55) DRD2DRD3PLAUNFKB1THPO
SCHEMBL3760340 0.78 PLAU (0.55) DRD2DRD3PLAUCYP2D6ADRA1A
SCHEMBL22061859 0.78 DRD2 (0.74) DRD2DRD3PLAUADRA1A
SCHEMBL14591309 0.78 PLAU (0.55) DRD2DRD3PLAUADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198685-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2021-12-14 US disclosed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US disclosed
US-10683283-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2020-06-16 US disclosed
US-8431378-B2 Aminotransferase, gene encoding the same, and methods of using them KANEKA CORPORATION (JP) 2013-04-30 US disclosed
US-20120270875-A1 PYRIMIDINE AMIDE COMPOUNDS GILLESPIE PAUL (US) 2012-10-25 US disclosed
WO-2012123467-A1 PYRIMIDINE AMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-8227604-B2 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2012-07-24 US disclosed
US-20120164724-A1 NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM KANEKA CORPORATION (JP) 2012-06-28 US disclosed
US-8133705-B2 Aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2012-03-13 US disclosed
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2010-11-11 US disclosed
US-20100210663-A1 Hybrid 2-Aminotetralin and Aryl-Substituted Piperazine Compounds and their Use in Altering CNS Activity WAYNE STATE UNIVERSITY (US) 2010-08-19 US disclosed
US-7723519-B2 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2010-05-25 US disclosed
EP-1889907-B1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME KANEKA CORP (JP) 2009-09-02 EP disclosed
EP-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 EP disclosed
US-20060020132-A1 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2006-01-26 US disclosed
US-6982332-B2 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2006-01-03 US disclosed
US-20030195219-A1 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering cns activity WAYNE STATE UNIVERSITY 2003-10-16 US disclosed
WO-2002098367-A2 HYBRID 2-AMINOTETRALIN AND ARYL-SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE IN ALTERING CNS ACTIVITY WAYNE STATE UNIVERSITY (US) 2002-12-12 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-20030195219-A1 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering cns activity HTR3A, HTR3C, HTR2C DRD2 5/4885DRD3 7/4885CHRM3 97/4885
US-20120270875-A1 PYRIMIDINE AMIDE COMPOUNDS UMPS, TYMS, DPYD DRD2 3415/4885DRD3 4074/4885CHRM3 497/4885
US-20100210663-A1 Hybrid 2-Aminotetralin and Aryl-Substituted Piperazine Compounds and their Use in Altering CNS Activity HTR3A, HTR3C, HTR2C DRD2 5/4885DRD3 7/4885CHRM3 96/4885
US-10683283-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885CHRM3 1670/4885
US-11198685-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885CHRM3 1670/4885
US-20060020132-A1 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity HTR3A, DRD3, DRD2 DRD2 3/4885DRD3 2/4885CHRM3 66/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885CHRM3 1670/4885
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them BCAT1, AGXT, ALDH7A1 DRD2 4646/4885DRD3 4278/4885CHRM3 4784/4885

“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.