SCHEMBL1064969

SCHEMBL1064969

O=C(O)CC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
NOTUM Q6P988 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ADORA2B P29275 4/20 0.43
USP2 O75604 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
BPTF Q12830 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL7995762 0.86 BRD4 (0.48) SMN1; SMN2LMNAMEN1KMT2AADORA2B
SCHEMBL13592654 0.86 SMN1; SMN2 (0.51) SMN1; SMN2LMNANOTUMMEN1KMT2A
SCHEMBL4406118 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNANOTUMMEN1KMT2A
SCHEMBL10459937 0.84 SMN1; SMN2 (0.51) SMN1; SMN2LMNANOTUMMEN1KMT2A
SCHEMBL9659383 0.84 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMEN1KMT2AADORA2B
SCHEMBL1008592 0.81 SMN1; SMN2 (0.60) SMN1; SMN2LMNANOTUMMEN1KMT2A
SCHEMBL1008281 0.81 LMNA (0.48) SMN1; SMN2LMNAMEN1KMT2AADORA2B
SCHEMBL10460009 0.81 LMNA (0.48) SMN1; SMN2LMNAMEN1KMT2AADORA2B
SCHEMBL1065341 0.78 ADORA2B (0.54) SMN1; SMN2LMNAMEN1KMT2AADORA2B
SCHEMBL1010467 0.78 SMN1; SMN2 (0.50) SMN1; SMN2LMNANOTUMMEN1KMT2A

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 12 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
CN-102015712-A Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT LTD 2011-04-13 CN 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 SMN1; SMN2 3103/4885LMNA 2164/4885NOTUM 4006/4885

“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.