SCHEMBL6012080

SCHEMBL6012080

COC(=O)C(CCC1OCCO1)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
LMNA P02545 1/20 0.42
ALB P02768 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL2936497 0.82 KDM4E (0.45) KDM4EHPGDHSD17B10GABRA1GABRB2
SCHEMBL13341942 0.82 ALDH1A1 (0.47) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL2930621 0.80 KDM4E (0.47) KDM4EHPGDHSD17B10GABRA1GABRB2
SCHEMBL6517141 0.79 KDM4E (0.46) KDM4EHPGDHSD17B10GABRA1GABRB2
SCHEMBL6012052 0.77 KDM4E (0.39) KDM4EHPGDHSD17B10GABRA1GABRB2
SCHEMBL8094715 0.76 KDM4E (0.50) KDM4EHPGDHSD17B10GABRA1GABRB2
SCHEMBL6216161 0.72 GABRA1 (0.52) KDM4EHPGDHSD17B10GABRA1GABRB2
SCHEMBL5250625 0.72 GABRA1 (0.52) KDM4EHPGDHSD17B10GABRA1GABRB2
SCHEMBL13177135 0.70 GABRA1 (0.49) KDM4EHPGDHSD17B10GABRA1GABRB2
SCHEMBL6011771 0.69 NR1H4 (0.45) KDM4EHPGDHSD17B10ALDH1A1RAB9A

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 12 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-7148353-B2 Imidazo[1,2-a] pyridine anxiolytics SEPRACOR INC. (US) 2006-12-12 US disclosed
EP-1682549-A2 IMIDAZO[1,2-A]PYRIDINE ANXIOLYTICS Sepracor Inc. (US) 2006-07-26 EP 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
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 995/4885HPGD 680/4885HSD17B10 2905/4885
US-20050171144-A1 Imidazo[1,2-a] pyridine anxiolytics CNR1, CNR2, GABRA5 KDM4E 995/4885HPGD 680/4885HSD17B10 2905/4885
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics MTNR1B, ADORA2B, ADRA2B KDM4E 796/4885HPGD 1207/4885HSD17B10 2199/4885

“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.