SCHEMBL2657955

SCHEMBL2657955

CC1(C)COB(c2ccc(C#N)cc2F)OC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.38
PDE4B Q07343 3/20 0.33
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
CHRM1 P11229 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE1A P54750 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
BACE1 P56817 4/20 0.31
BACE2 Q9Y5Z0 2/20 0.31
POLB P06746 1/20 0.31
USP30 Q70CQ3 1/20 0.31
EGLN2 Q96KS0 2/20 0.31
CYP11B1 P15538 1/20 0.31
MALT1 Q9UDY8 1/20 0.30

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
SCHEMBL1827360 0.88 CYP11B2 (0.36) CYP11B2PDE4BBACE1BACE2POLB
SCHEMBL614874 0.82 KDM4E (0.37) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL12299446 0.81 POLB (0.32) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL156525 0.80 CYP11B2 (0.38) CYP11B2PDE4BPDE4APDE4CPDE4D
SCHEMBL29358185 0.80 CYP11B2 (0.38) CYP11B2PDE4BPDE4APDE4CPDE4D
SCHEMBL20483671 0.79 POLB (0.32) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL20313023 0.79 PDE4B (0.31) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2659671 0.78 CA1 (0.34) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL1829521 0.78 KDM4E (0.31)
SCHEMBL16136495 0.75 ALDH1A1 (0.33)

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 CYP11B2 225/4885PDE4B 2346/4885PDE4A 2155/4885

“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.