SCHEMBL10458902

SCHEMBL10458902

CC1CCN(C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
LIPE Q05469 1/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TRPA1 O75762 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
SIGMAR1 Q99720 2/20 0.49

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
SCHEMBL8844803 0.96 GAA (0.67) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL10458999 0.86 GAA (0.74) GAAALDH1A1LMNAHPGDLIPE
SCHEMBL8262692 0.86 GAA (0.74) GAAKMT2AALDH1A1HPGDLIPE
SCHEMBL8262856 0.84 GAA (0.72) GAAALDH1A1HPGDLIPEPOLB
SCHEMBL470967 0.84 GAA (1.00) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL2618043 0.84 GAA (0.51) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL11559625 0.83 MAPT (0.61) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL8844984 0.82 GAA (0.68) GAAALDH1A1LMNAHPGDLIPE
SCHEMBL2597837 0.82 GAA (0.88) GAAKMT2AALDH1A1MEN1LMNA
SCHEMBL8844792 0.82 GAA (0.68) GAAKMT2AALDH1A1HPGDLIPE

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 7 patents. 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-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-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
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

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 GAA 3633/4885KMT2A 1796/4885ALDH1A1 830/4885
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 GAA 3633/4885KMT2A 1796/4885ALDH1A1 830/4885
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 GAA 3633/4885KMT2A 1796/4885ALDH1A1 830/4885

“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.