SCHEMBL2659673

SCHEMBL2659673

CC1(C)COB(c2ccc(F)c(C#N)c2)OC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
PGR P06401 3/20 0.37
PLA2G7 Q13093 10/20 0.36
SNCA P37840 1/20 0.34
PTP4A3 O75365 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
BUB1 O43683 1/20 0.31

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
SCHEMBL3166947 0.88 TRPV4 (0.40) ARPGRSNCACYP11B1CYP11B2
SCHEMBL2649221 0.83 GABRA1 (0.35) ARPGRSNCACYP11B1CYP11B2
SCHEMBL2649122 0.83 GABRA1 (0.39) ARPGRSNCA
SCHEMBL2413501 0.82 VCAM1 (0.39) ARSNCATRPV4
SCHEMBL2648749 0.81 GABRA1 (0.40)
SCHEMBL2659509 0.81 GABRA1 (0.36)
SCHEMBL2411835 0.81 AR (0.35) ARSNCACYP11B1CYP11B2
SCHEMBL30375876 0.80 LPL (0.47) ARPGRPLA2G7
SCHEMBL1514603 0.80 LPL (0.47) ARPGRPLA2G7
SCHEMBL16734840 0.80 ALDH1A1 (0.45) ARPGRSNCA

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-7279580-B2 Imidazo-pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LIMITED (GB) 2007-10-09 US disclosed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP disclosed
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 US disclosed
EP-1511747-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2003099816-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 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-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 AR 2303/4885PGR 978/4885PLA2G7 4645/4885

“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.