SCHEMBL2888907

SCHEMBL2888907

NC(=O)C1C[C]CCN1c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
HSD17B10 Q99714 8/20 0.39
KDM4E B2RXH2 7/20 0.39
HPGD P15428 5/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.39
GRM5 P41594 1/20 0.39
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.39
ADRB2 P07550 1/20 0.39
PLD1 Q13393 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A7 Q99884 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4234258 0.79 HTR3E (0.42) ALDH1A1KDM4EHPGDCYP2D6TSHR
SCHEMBL31028552 0.79 ELANE (0.49) ALDH1A1SMN1; SMN2HSD17B10KDM4EMEN1
SCHEMBL10353108 0.79 ELANE (0.49) ALDH1A1SMN1; SMN2HSD17B10KDM4EMEN1
SCHEMBL5616791 0.78 GPR119 (0.37) ALDH1A1SMN1; SMN2GPR119HSD17B10KDM4E
Hydrochloric Acid SCHEMBL29659031 0.78 ELANE (0.48) ALDH1A1SMN1; SMN2HSD17B10KDM4EMEN1
SCHEMBL1674952 0.76 MAPT (0.33) ALDH1A1SMN1; SMN2HSD17B10CYP3A4CYP2D6
SCHEMBL2687256 0.75 PIM1 (0.40) GPR119MAPK1
SCHEMBL3104046 0.74 L3MBTL1 (0.45) ALDH1A1KDM4ECYP2C19GRM5RECQL
SCHEMBL29200964 0.72 GRM1 (0.41) ALDH1A1SMN1; SMN2HSD17B10KDM4EHPGD
SCHEMBL3153895 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322525-B1 Purine derivatives for use as adenosin A2A receptor agonists NOVARTIS AG (CH) 2013-09-18 EP disclosed
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-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20090281127-A1 Organic Compounds NOVARTIS AG (CH) 2009-11-12 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 US disclosed
EP-2018382-A2 PURINE DERIVATIVES AS ADENOSINE RECEPTOR ACTIVATOR Novartis AG (CH) 2009-01-28 EP disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2007121921-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121917-A2 PURINE DERIVATIVES AS ADENOSINE RECEPTOR ACTIVATOR NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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
EP-1805212-A1 DESOXO-NONADEPSIPEPTIDES AiCuris GmbH & Co. KG (DE) 2007-07-11 EP disclosed
EP-1805181-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS Novartis AG (CH) 2007-07-11 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO disclosed
WO-2006045552-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-05-04 WO disclosed
WO-2006042655-A1 DESOXO-NONADEPSIPEPTIDES AICURIS GMBH & CO. KG (DE) 2006-04-27 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 (5 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-20090281127-A1 Organic Compounds CYP3A43, CYP3A4, CYP2C19 ALDH1A1 86/4885SMN1; SMN2 2574/4885GPR119 1325/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885SMN1; SMN2 2150/4885GPR119 1142/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ALDH1A1 301/4885SMN1; SMN2 2543/4885GPR119 1010/4885
US-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 ALDH1A1 194/4885SMN1; SMN2 1910/4885GPR119 881/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ALDH1A1 166/4885SMN1; SMN2 2150/4885GPR119 1142/4885

“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.