SCHEMBL238565

SCHEMBL238565

c1ccc(CN2CC[C@@H](N3CCCC3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
L3MBTL3 Q96JM7 3/20 0.56
MBTD1 Q05BQ5 2/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ACHE P22303 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
BCHE P06276 1/20 0.53
BACE1 P56817 1/20 0.53
CCR3 P51677 1/20 0.51
TP53BP1 Q12888 1/20 0.51
CHRM2 P08172 2/20 0.51
CHRM3 P20309 2/20 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
SCHEMBL3563415 1.00 DRD2 (0.57) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL2327650 1.00 DRD2 (0.57) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL4278988 0.98 DRD2 (0.55) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL2322360 0.98 DRD2 (0.55) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL6584141 0.98 DRD2 (0.55) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL4423264 0.90 ALDH1A1 (0.60) L3MBTL3MBTD1ALDH1A1CYP1A2CYP3A4
SCHEMBL5091037 0.90 SIGMAR1 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13990656 0.90 L3MBTL3 (0.68) DRD2DRD4DRD3L3MBTL3MBTD1
SCHEMBL23225374 0.89 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21216229 0.89 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 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 (7 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 DRD2 401/4885DRD4 672/4885DRD3 426/4885
US-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 DRD2 216/4885DRD4 397/4885DRD3 265/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 DRD2 651/4885DRD4 352/4885DRD3 282/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 DRD2 492/4885DRD4 263/4885DRD3 240/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 DRD2 651/4885DRD4 352/4885DRD3 282/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 DRD2 474/4885DRD4 853/4885DRD3 560/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 DRD2 651/4885DRD4 352/4885DRD3 282/4885

“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.