SCHEMBL1245302

SCHEMBL1245302

C#CCC1CCN(C(=O)Oc2ccc(C(=O)OC)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
GAA P10253 1/20 0.44
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
NPY2R P49146 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
MAPT P10636 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
SCHEMBL1245123 0.91 KMT2A (0.47) KMT2AMEN1GAANPC1RAB9A
SCHEMBL1242967 0.88 NPY2R (0.53) GAANPC1RAB9ANPY2RALDH1A1
SCHEMBL29213837 0.86 MGLL (0.49) KMT2AMEN1GAAEPHX2EPHX1
SCHEMBL14389746 0.85 KMT2A (0.64) KMT2AMEN1GAAEPHX2EPHX1
SCHEMBL1244473 0.85 CYP1A2 (0.55) GAANPC1RAB9ANPY2RALDH1A1
SCHEMBL14389667 0.83 MEN1 (0.61) KMT2AMEN1GAAEPHX2EPHX1
SCHEMBL1244496 0.83 TRPA1 (0.47) GAANPC1RAB9AALDH1A1POLB
SCHEMBL1243015 0.83 ALOX15 (0.47) KMT2AMEN1GAANPC1RAB9A
SCHEMBL1244960 0.82 GAA (0.61) GAANPC1RAB9A
SCHEMBL10456963 0.81 KMT2A (0.68) KMT2AMEN1GAAEPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7888329-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGXHEALTH, LLC (US) 2011-02-15 US disclosed
US-7888329-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGXHEALTH, LLC (US) 2011-02-15 US disclosed
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 US disclosed
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 US disclosed
US-7589076-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH, LLC (US) 2009-09-15 US disclosed
US-7589076-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH, LLC (US) 2009-09-15 US disclosed
US-7589076-B2 Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH, LLC (US) 2009-09-15 US disclosed
CN-101490075-A Substituted aryl piperidinylalkynyladenosines as A2AR agonists PGX HEALTH LLC (US) 2009-07-22 CN disclosed
EP-2024380-A2 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS Adenosine Therapeutics, LLC (US) 2009-02-18 EP 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 (3 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-20110091385-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 KMT2A 1796/4885MEN1 3512/4885GAA 3633/4885
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 KMT2A 1796/4885MEN1 3512/4885GAA 3633/4885
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 KMT2A 1796/4885MEN1 3512/4885GAA 3633/4885

“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.