SCHEMBL1476905

SCHEMBL1476905

N#Cc1cncc(C#Cc2ccc(F)c(C#N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.51
CYP11B2 P19099 8/20 0.51
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL1477768 0.88 CYP11B2 (0.51) CYP11B1CYP11B2
SCHEMBL1477267 0.87 CYP11B1 (0.46) CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1476840 0.83 CYP11B1 (0.53) CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1477679 0.83 CYP11B1 (0.43) CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1477498 0.83 CYP11B1 (0.43) CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1477509 0.83 CYP11B1 (0.43) CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1477830 0.82 CYP11B1 (0.40) CYP11B1CYP11B2CHRNB2CHRNA4FFAR1
SCHEMBL1476631 0.81 CHRNB2 (0.55) CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1476830 0.80 CYP11B2 (0.41) CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1476558 0.80 CHRNB2 (0.51) CYP11B1CYP11B2CHRNB2CHRNA4

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 7 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
EP-2094646-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES AstraZeneca AB (SE) 2009-09-02 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 WO 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 1328/4885CHRNB2 57/4885

“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.