SCHEMBL1477044

SCHEMBL1477044

CCNCc1cc(C#Cc2cncc(C#N)c2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.40
CD274 Q9NZQ7 3/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
MAP3K8 P41279 2/20 0.34
PDE2A O00408 1/20 0.34
ACE P12821 1/20 0.33
ECE1 P42892 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
VNN1 O95497 1/20 0.32

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
SCHEMBL1477378 0.90 DPP4 (0.37) PDCD1CD274DPP4DPP8DPP9
SCHEMBL1477609 0.88 SLC6A4 (0.41) DPP4DPP8DPP9DPP7CYP11B1
SCHEMBL1477199 0.84 DPP4 (0.38) DPP4DPP8DPP9DPP7CYP11B1
SCHEMBL26948215 0.84 SLC6A4 (0.40) CA2CA4PDE2A
SCHEMBL1478905 0.83 DPP4 (0.38) PDCD1CD274DPP4DPP8DPP9
SCHEMBL1476690 0.82 SETDB1 (0.48) PDCD1CD274VNN1
SCHEMBL1477955 0.82 KDR (0.36) DPP4DPP8DPP9DPP7CYP11B1
SCHEMBL1478207 0.81 CYP11B1 (0.39) DPP4DPP8DPP9DPP7CYP11B1
SCHEMBL1477264 0.80 CYP11B1 (0.40) DPP4DPP8DPP9DPP7CYP11B1
SCHEMBL1476451 0.80 DPP4 (0.42) DPP4DPP8DPP9DPP7CYP11B1

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 PDCD1 4580/4885CD274 3916/4885DPP4 1800/4885

“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.