SCHEMBL1010088

SCHEMBL1010088

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.48
ALKBH5 Q6P6C2 1/20 0.45
CYP17A1 P05093 1/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8604482 0.91 CYP2C19 (0.51) NOTUMCA12CA1CA2CA9
SCHEMBL11747518 0.86 FFAR4 (0.42) NOTUMCA12CA1CA2CA9
SCHEMBL14212003 0.85 CA12 (0.50) NOTUMCA12CA1CA2CA9
SCHEMBL7610183 0.83 CA12 (0.55) NOTUMCA12CA1CA2CA9
SCHEMBL7611284 0.83 CA12 (0.55) NOTUMCA12CA1CA2CA9
SCHEMBL7607804 0.83 CA12 (0.55) NOTUMCA12CA1CA2CA9
SCHEMBL892757 0.83 HDAC1 (0.53) NOTUMCA12CA2CA9
SCHEMBL9273396 0.83 NOTUM (0.59) NOTUMDRD2DRD3
SCHEMBL892919 0.82 POLB (0.46) POLBLMNADRD2DRD3ALDH1A1
SCHEMBL1010136 0.82 ALDH1A1 (0.55) NOTUMCA12CA1CA2CA9

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 30 patents — showing the first 20. 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
EP-0828710-A1 PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES ZENECA LIMITED (GB) 1998-03-18 EP disclosed
US-5726129-A Pyrrolidine-2-thione derivatives as herbicides ZENECA LIMITED (GB) 1998-03-10 US disclosed
US-5670656-A Process for preparing pyrrolidinones ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
EP-0763019-A1 NOVEL PYRROLIDINE-2-THIONE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1996037466-A1 PROCESS FOR THE PREPARATION OF (THIO-)CARBONIC/CARBAMIC ACID 2-PYRROLIDONYL-3-ESTERS, THIO ESTERS AND AMIDES ZENECA LIMITED (GB) 1996-11-28 WO disclosed
WO-1995033718-A1 NOVEL PYRROLIDINE-2-THIONE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 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 NOTUM 4006/4885CA12 4623/4885CA1 3501/4885

“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.