SCHEMBL1244543

SCHEMBL1244543

C#CCC1CCN(C(=O)Oc2cccc(C)c2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.41
CCR6 P51684 1/20 0.38
MGLL Q99685 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL1244354 0.83 POLB (0.50) MEN1KMT2AALDH1A1GAACYP2C9
SCHEMBL1245408 0.82 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL558780 0.81 CASP3 (0.43) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL1245127 0.81 CASP3 (0.41) ALDH1A1GAASMN1; SMN2MGLLTP53
SCHEMBL1244369 0.81 SMN1; SMN2 (0.41) ALDH1A1GAACYP1A2CYP3A4CYP2C9
SCHEMBL1244473 0.78 CYP1A2 (0.55) ALDH1A1GAACYP1A2CYP2C9CYP2C19
SCHEMBL1244960 0.77 GAA (0.61) GAAMGLL
SCHEMBL1245290 0.77 MGLL (0.43) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL1242936 0.77 GAA (0.51) KMT2AALDH1A1GAACYP2C19SMN1; SMN2
SCHEMBL1242967 0.75 NPY2R (0.53) ALDH1A1GAAPOLBGRIN2B

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 6 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
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 MEN1 3512/4885KMT2A 1796/4885ALDH1A1 830/4885
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 MEN1 3512/4885KMT2A 1796/4885ALDH1A1 830/4885
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 MEN1 3512/4885KMT2A 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.