SCHEMBL3266560

SCHEMBL3266560

CCNC(=O)c1cn(C)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.42
KCNA3 P22001 1/20 0.41
CNR1 P21554 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
BRD4 O60885 1/20 0.39
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
KDM5A P29375 1/20 0.38
SMYD3 Q9H7B4 2/20 0.38
CHIA Q9BZP6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL24253400 0.84 KCNA3 (0.41) GRM2KCNA3GSK3BDYRK1AKDM5A
SCHEMBL12911102 0.81 P2RX7 (0.42) GRM2KCNA3MAPTGSK3BDYRK1A
SCHEMBL22231667 0.81 KCNA3 (0.39) GRM2KCNA3GSK3BDYRK1AKDM5A
SCHEMBL1662858 0.79 BAZ2B (0.46) GRM2KCNA3CNR1BRD4GSK3B
SCHEMBL13925852 0.79 GRM2 (0.48) GRM2KCNA3SMYD3
SCHEMBL17518681 0.78 GSK3B (0.42) GRM2KCNA3GSK3BDYRK1AKDM5A
SCHEMBL26605437 0.78 GSK3B (0.40) GRM2KCNA3GSK3BDYRK1AKDM5A
SCHEMBL1829985 0.77 L3MBTL1 (0.51) GRM2L3MBTL1
SCHEMBL27284572 0.77 KCNA3 (0.46) GRM2KCNA3CNR1
SCHEMBL20438538 0.76 KDM5A (0.40) GRM2GSK3BDYRK1AKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US 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 (3 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 GRM2 52/4885KCNA3 373/4885CNR1 30/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 GRM2 52/4885KCNA3 373/4885CNR1 30/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 GRM2 52/4885KCNA3 373/4885CNR1 30/4885

“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.