SCHEMBL1244485

SCHEMBL1244485

C#CCC1(c2ccccc2[N+](=O)[O-])CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1245009 0.81 CRHBP (0.39) HTTRAB9AALDH1A1MEN1KMT2A
SCHEMBL1244472 0.80 APP (0.43)
SCHEMBL1243013 0.80 RIPK1 (0.38) HTTRAB9AKDM4EMEN1KMT2A
SCHEMBL1243002 0.79 RAB9A (0.41) GRM5HTTRAB9AALDH1A1KDM4E
SCHEMBL27644978 0.69 RAB9A (0.44) HTTRAB9AALDH1A1KDM4ELMNA
SCHEMBL28114646 0.69 ALDH1A1 (0.44) RAB9AALDH1A1LMNANPC1HPGD
SCHEMBL3530123 0.68 APP (0.43)
SCHEMBL3958147 0.67 HTT (0.44) HTTRAB9AALDH1A1LMNAMEN1
SCHEMBL3530635 0.67 KDM1A (0.39) ALDH1A1KDM4EKMT2ATDP1
SCHEMBL30937544 0.66 AKR1C1 (0.46) ALDH1A1KDM4EMEN1KMT2ATDP1

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 GRM5 358/4885HTT 1933/4885RAB9A 884/4885
US-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 GRM5 358/4885HTT 1933/4885RAB9A 884/4885
US-20070270373-A1 Substituted aryl piperidinylalkynyladenosines as A2AR agonists ADORA2A, ADORA1, ADORA3 GRM5 358/4885HTT 1933/4885RAB9A 884/4885

“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.