SCHEMBL7546358

SCHEMBL7546358

COc1cccc(C(CC#N)c2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
DRD2 P14416 2/20 0.43
GRM5 P41594 1/20 0.42
KCNA5 P22460 1/20 0.41
CASR P41180 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CHRM2 P08172 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
SLC6A3 Q01959 1/20 0.40
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
SLC10A1 Q14973 1/20 0.38
MAOB P27338 1/20 0.38
VDR P11473 1/20 0.38
PFKFB3 Q16875 1/20 0.38

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
SCHEMBL7856698 0.83 PBRM1 (0.55) PBRM1CASRMTNR1AMTNR1BMAOB
SCHEMBL7552610 0.80 SLC6A2 (0.42) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL30638827 0.78 SLC6A3 (0.64) DRD2GRM5KCNA5CASRSLC6A2
SCHEMBL28557150 0.78 SLC6A3 (0.64) DRD2GRM5KCNA5CASRSLC6A2
SCHEMBL7550096 0.76 MTNR1A (0.46) DRD2KCNA5MTNR1AMTNR1B
SCHEMBL29518433 0.75 DYRK1A (0.45) DRD2GRM5CASRSLC6A2SLC6A4
SCHEMBL30879872 0.75 DYRK1A (0.45) DRD2GRM5CASRSLC6A2SLC6A4
SCHEMBL17842130 0.75 DYRK1A (0.45) DRD2GRM5CASRSLC6A2SLC6A4
SCHEMBL17842030 0.75 DYRK1A (0.45) DRD2GRM5CASRSLC6A2SLC6A4
SCHEMBL7550141 0.75 DRD2 (0.42) DRD2GRM5KCNA5CASRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020132812-A1 Oral hypoglycaemic agents NOVO NORDISK A/S (DK) 2002-09-19 US disclosed
WO-2002038559-A1 1,3-DIAZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS ORAL HYPOGLYCAEMIC AGENTS NOVO NORDISK A/S (DK) 2002-05-16 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-20020132812-A1 Oral hypoglycaemic agents SLC5A2, GPR119, SLC5A1 PBRM1 4321/4885DRD2 3857/4885GRM5 3187/4885

“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.