SCHEMBL13341897

SCHEMBL13341897

CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 6/20 0.62
GABRA1 P14867 5/20 0.62
KDM4E B2RXH2 2/20 0.62
GABRA2 P47869 2/20 0.62
LMNA P02545 1/20 0.62
ALB P02768 1/20 0.62
CYP3A4 P08684 1/20 0.62
CHRM1 P11229 1/20 0.62
HPGD P15428 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRG2 P18507 1/20 0.62
GABRB3 P28472 1/20 0.62
GABRA3 P34903 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRK1 P41145 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL16922185 0.91 GABRA1 (0.76) GABRB2GABRA1KDM4EGABRA2LMNA
SCHEMBL5531392 0.91 GABRA1 (0.76) GABRB2GABRA1KDM4EGABRA2LMNA
SCHEMBL23624338 0.86 GABRB2 (0.51) GABRB2GABRA1GABRA2SMN1; SMN2CYP1A2
SCHEMBL13341887 0.85 SMN1; SMN2 (0.56) KDM4EHPGDHSD17B10SMN1; SMN2CYP1A2
SCHEMBL6686729 0.84 NTRK1 (0.58) KDM4EHPGDHSD17B10SMN1; SMN2CYP1A2
SCHEMBL13341956 0.84 GABRB2 (0.52) GABRB2GABRA1KDM4EGABRA2SMN1; SMN2
SCHEMBL13341895 0.82 NPC1 (0.56) GABRB2GABRA1KDM4EHPGDHSD17B10
SCHEMBL7096969 0.82 NTRK1 (0.56) KDM4EHPGDHSD17B10SMN1; SMN2CYP1A2
SCHEMBL15435556 0.82 MAPK1 (0.55) GABRB2GABRA1KDM4EGABRA2LMNA
SCHEMBL3613601 0.82 SLC2A2 (0.69) KDM4EHPGDHSD17B10SMN1; SMN2CYP1A2

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
US-7723324-B2 Imidazo[1,2-A]pyridine anxiolytics SEPRACOR, INC. (US) 2010-05-25 US disclosed
US-7566725-B2 Imidazo[1,2-A] pyridine anxiolytics SEPRACOR INC. (US) 2009-07-28 US disclosed
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics SEPRACOR INC. (US) 2008-04-24 US disclosed
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS SEPRACOR INC. (US) 2007-02-22 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 (2 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-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS CNR1, CNR2, GABRA5 GABRB2 25/4885GABRA1 4/4885KDM4E 995/4885
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics MTNR1B, ADORA2B, ADRA2B GABRB2 13/4885GABRA1 37/4885KDM4E 796/4885

“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.