SCHEMBL1244486

SCHEMBL1244486

C#CCC1CCN(C(=O)O)C(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTR2A P28223 1/20 0.36
ACHE P22303 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL1244475 0.83 SLC6A2 (0.37) MAPTLMNA
SCHEMBL1243016 0.83 MAOB (0.37) SMN1; SMN2HTR2ASLC18A3SIGMAR1
SCHEMBL1245011 0.83 PSEN1 (0.37) MAPT
SCHEMBL1243005 0.82 HTT (0.46) HTTMAPTLMNAMAPK1SMN1; SMN2
Methyl Alcohol SCHEMBL1245125 0.81 CFB (0.36) HTR2A
SCHEMBL1245460 0.81 HSD17B10 (0.42) SMN1; SMN2
SCHEMBL29213838 0.79 KDM4E (0.41) LMNAALDH1A1
SCHEMBL1245126 0.77 RIPK1 (0.36) HTTSMN1; SMN2ALDH1A1
SCHEMBL1581647 0.76 SLC18A3 (0.48) MAPTLMNASMN1; SMN2ALDH1A1SLC18A3
SCHEMBL28539303 0.75 RIPK1 (0.47) HTTMAPTLMNASMN1; SMN2TDP1

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 8 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
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

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 HTT 1933/4885MAPT 4815/4885LMNA 1582/4885
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 HTT 1933/4885MAPT 4815/4885LMNA 1582/4885
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 HTT 1933/4885MAPT 4815/4885LMNA 1582/4885

“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.