SCHEMBL558780

SCHEMBL558780

C#CCC1CCN(C(=O)Oc2ccccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2B P41595 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BCHE P06276 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL1245408 0.90 SMN1; SMN2 (0.42) CASP3TP53NPSR1TDP1FAAH
SCHEMBL1244354 0.86 POLB (0.50) CASP3TP53MEN1KMT2ACYP2C19
SCHEMBL14389793 0.84 GAA (0.46) CASP3TP53NPSR1TDP1FAAH
SCHEMBL1244960 0.83 GAA (0.61) GAAMGLL
SCHEMBL1245305 0.82 CHRNA3 (0.50) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1242936 0.82 GAA (0.51) TP53KMT2ACYP2C19ALDH1A1SMN1; SMN2
SCHEMBL1244369 0.81 SMN1; SMN2 (0.41) TP53CYP2C19CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL1245127 0.81 CASP3 (0.41) CASP3TP53ALDH1A1SMN1; SMN2GAA
SCHEMBL1244543 0.81 MEN1 (0.42) CASP3TP53MEN1KMT2ACYP2C19
SCHEMBL1244496 0.81 TRPA1 (0.47) CASP3FAAHALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-12-06 US disclosed
US-8222228-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-07-17 US disclosed
US-8222228-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-07-17 US disclosed
US-8222228-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-07-17 US disclosed
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-02-09 US disclosed
US-7985754-B2 Selective antagonists of A2A adenosine receptors TROVIS PHARMACEUTICALS, LLC (US) 2011-07-26 US disclosed
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2011-04-21 US disclosed
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2011-04-21 US disclosed
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2011-04-21 US disclosed
US-7888329-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGXHEALTH, LLC (US) 2011-02-15 US disclosed
CN-101490075-A Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH LLC (US) 2009-07-22 CN disclosed
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2009-05-07 US disclosed
EP-2041136-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS PGXHealth, LLC (US) 2009-04-01 EP disclosed
EP-2024380-A2 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS Adenosine Therapeutics, LLC (US) 2009-02-18 EP disclosed
WO-2008011007-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS PGXHEALTH, LLC (US) 2008-01-24 WO disclosed
WO-2007136817-A2 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADENOSINE THERAPEUTICS, LLC (US) 2007-11-29 WO disclosed
WO-2007136817-A2 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADENOSINE THERAPEUTICS, LLC (US) 2007-11-29 WO disclosed
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADENOSINE THERAPEUTICS, LLC 2007-11-22 US disclosed
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADENOSINE THERAPEUTICS, LLC 2007-11-22 US disclosed
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADENOSINE THERAPEUTICS, LLC 2007-11-22 US 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-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B CASP3 3716/4885TP53 3498/4885NPSR1 39/4885
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA3, ADORA2B CASP3 3716/4885TP53 3498/4885NPSR1 39/4885
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B CASP3 3716/4885TP53 3498/4885NPSR1 39/4885
US-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 CASP3 4138/4885TP53 3902/4885NPSR1 34/4885
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 CASP3 4138/4885TP53 3902/4885NPSR1 34/4885

“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.