SCHEMBL6517141

SCHEMBL6517141

C=CCC(C(=O)OC)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
ALB P02768 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 2/20 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
SCHEMBL2930621 0.90 KDM4E (0.47) KDM4EGABRA1GABRB2HPGDHSD17B10
SCHEMBL2936497 0.84 KDM4E (0.45) KDM4EGABRA1GABRB2HPGDHSD17B10
SCHEMBL6516970 0.82 GABRA1 (0.48) KDM4EGABRA1GABRB2HPGDHSD17B10
SCHEMBL8094715 0.80 KDM4E (0.50) KDM4EGABRA1GABRB2HPGDHSD17B10
SCHEMBL6012080 0.79 KDM4E (0.42) KDM4EGABRA1GABRB2HPGDHSD17B10
SCHEMBL13177135 0.78 GABRA1 (0.49) KDM4EGABRA1GABRB2HPGDHSD17B10
SCHEMBL5250625 0.76 GABRA1 (0.52) KDM4EGABRA1GABRB2HPGDHSD17B10
SCHEMBL6216161 0.76 GABRA1 (0.52) KDM4EGABRA1GABRB2HPGDHSD17B10
SCHEMBL6012052 0.75 KDM4E (0.39) KDM4EGABRA1GABRB2HPGDHSD17B10
SCHEMBL6216979 0.73 NR1H4 (0.54) KDM4EGABRA1GABRB2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682549-B1 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS SEPRACOR INC (US) 2010-09-22 EP disclosed
US-7723324-B2 Imidazo[1,2-A]pyridine anxiolytics SEPRACOR, INC. (US) 2010-05-25 US disclosed
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-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
US-20050171144-A1 Imidazo[1,2-a] pyridine anxiolytics SEPRACOR INC. (US) 2005-08-04 US disclosed
WO-2005044818-A2 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS SEPRACOR, INC. (US) 2005-05-19 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 (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-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS CNR1, CNR2, GABRA5 KDM4E 995/4885GABRA1 4/4885GABRB2 25/4885
US-20050171144-A1 Imidazo[1,2-a] pyridine anxiolytics CNR1, CNR2, GABRA5 KDM4E 995/4885GABRA1 4/4885GABRB2 25/4885
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics MTNR1B, ADORA2B, ADRA2B KDM4E 796/4885GABRA1 37/4885GABRB2 13/4885

“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.