SCHEMBL1476966

SCHEMBL1476966

N#Cc1cncc(C#Cc2ccc(F)c([N+](=O)[O-])c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.47
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.44
KAT2B Q92831 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CA1 P00915 1/20 0.37
MMP2 P08253 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1478800 0.84 ALDH1A1 (0.45) VCAM1ALDH1A1HIF1ACA1MMP2
SCHEMBL352298 0.83 VCAM1 (0.64) VCAM1ALDH1A1HIF1AKAT2BCA1
SCHEMBL2426169 0.83 ALDH1A1 (0.60) VCAM1ALDH1A1HIF1ACA1MMP2
SCHEMBL1477267 0.81 CYP11B1 (0.46) CYP11B1CYP11B2
SCHEMBL1477600 0.80 GRM5 (0.47) VCAM1ALDH1A1HIF1ACYP11B1CYP11B2
SCHEMBL1476905 0.78 CYP11B1 (0.51) CYP11B1CYP11B2
SCHEMBL1477679 0.77 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL1477509 0.77 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL1477498 0.77 CYP11B1 (0.43) CYP11B1CYP11B2CA14
SCHEMBL1477364 0.76 CYP11B1 (0.40) CYP11B1CYP11B2

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 VCAM1 4383/4885ALDH1A1 3485/4885HIF1A 3679/4885

“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.