SCHEMBL1010136

SCHEMBL1010136

CCOC(=O)C1CCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 2/20 0.55
HSP90AA1 P07900 1/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
ELANE P08246 3/20 0.47
CYP3A4 P08684 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 2/20 0.45
APP P05067 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL1010088 0.82 NOTUM (0.56) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL15374432 0.82 MEN1 (0.60) ALDH1A1HSD17B10LMNAMEN1KMT2A
SCHEMBL15367247 0.82 MEN1 (0.60) ALDH1A1HSD17B10LMNAMEN1KMT2A
SCHEMBL14212003 0.81 CA12 (0.50) SMN1; SMN2MEN1KMT2ACA12CA1
SCHEMBL8787985 0.80 CA12 (0.51) ALDH1A1HSD17B10HSP90AA1ALOX15SMN1; SMN2
SCHEMBL9362278 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10HSP90AA1ALOX15SMN1; SMN2
SCHEMBL6506137 0.78 NOTUM (0.61) ALDH1A1HSD17B10HSP90AA1ALOX15SMN1; SMN2
SCHEMBL25231991 0.77 CA12 (0.51) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL7433338 0.77 HTT (0.52) ALDH1A1SMN1; SMN2MAPK1HTTMEN1
SCHEMBL7610183 0.77 CA12 (0.55) ALDH1A1CA12CA1CA2CA9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 EP disclosed
EP-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 EP disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
EP-2268641-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST Advinus Therapeutics Pvt. Ltd. (IN) 2011-01-05 EP disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 WO disclosed
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 WO 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 (1 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-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA1 ALDH1A1 551/4885HSD17B10 3789/4885HSP90AA1 4446/4885

“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.