SCHEMBL1476840

SCHEMBL1476840

COc1cncc(C#Cc2ccc(F)c(C#N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.53
CYP11B2 P19099 6/20 0.53
GRM5 P41594 2/20 0.49
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
FGFR1 P11362 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP3A5 P20815 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK1 P49759 2/20 0.37
CDK5 Q00535 2/20 0.37
DYRK1A Q13627 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CLK2 P49760 1/20 0.37

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
SCHEMBL1478622 0.84 GRM5 (0.55) CYP11B1CYP11B2GRM5CHRNB2CHRNA4
SCHEMBL1478458 0.83 GRM5 (0.54) CYP11B1CYP11B2GRM5CHRNB2CHRNA4
SCHEMBL1476905 0.83 CYP11B1 (0.51) CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1476253 0.82 GRM5 (0.52) CYP11B1CYP11B2GRM5CHRNB2CHRNA4
SCHEMBL1476657 0.81 GRM5 (0.51) CYP11B1CYP11B2GRM5CHRNB2CHRNA4
SCHEMBL1477082 0.81 GRM5 (0.51) CYP11B1CYP11B2GRM5CHRNB2CHRNA4
SCHEMBL1477957 0.81 GRM5 (0.51) CYP11B1CYP11B2GRM5CHRNB2CHRNA4
SCHEMBL1477768 0.80 CYP11B2 (0.51) CYP11B1CYP11B2GRM5
SCHEMBL1477124 0.78 CYP11B2 (0.51) CYP11B1CYP11B2GRM5CHRNB2CHRNA4
SCHEMBL1476923 0.78 GRM5 (0.57) CYP11B1CYP11B2GRM5CHRNB2CHRNA4

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-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 CYP11B1 1606/4885CYP11B2 1328/4885GRM5 48/4885

“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.