SCHEMBL3974628

SCHEMBL3974628

CCOC(=O)c1c(N)sc(-c2ccc(Cl)cc2)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 5/20 0.61
MAPT P10636 6/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 2/20 0.57
XBP1 P17861 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MDM2 Q00987 7/20 0.54
TP53 P04637 6/20 0.54
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GPR55 Q9Y2T6 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
PRKCZ Q05513 1/20 0.47
ADORA1 P30542 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL3980249 0.92 GRM6 (0.73) GRM6MAPTMEN1KMT2APOLB
SCHEMBL3974186 0.90 GRM6 (0.61) GRM6MAPTMEN1KMT2APOLB
SCHEMBL3975104 0.89 GRM6 (0.60) GRM6MAPTMEN1KMT2APOLB
SCHEMBL3974612 0.88 GRM6 (0.61) GRM6MAPTMEN1KMT2APOLB
SCHEMBL4087642 0.87 GRM6 (0.57) GRM6MAPTMEN1KMT2APOLB
SCHEMBL3981712 0.85 GRM6 (0.57) GRM6MAPTMEN1KMT2APOLB
SCHEMBL4078131 0.82 ADORA1 (0.68) GRM6MAPTMEN1KMT2AMDM2
SCHEMBL25758961 0.76 GRM6 (0.76) GRM6MAPTMEN1KMT2APOLB
SCHEMBL4090650 0.74 ADORA1 (0.77) GRM6MAPTMEN1KMT2AALDH1A1
SCHEMBL4076833 0.74 ADORA1 (0.66) GRM6MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013049725-A2 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2013-04-04 WO claimed
US-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2014-08-28 US disclosed
WO-2013049725-A2 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2013-04-04 WO disclosed
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 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-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION ADORA2A, ADORA1, ADORA3 GRM6 138/4885MAPT 4054/4885MEN1 4796/4885

“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.