SCHEMBL1477482

SCHEMBL1477482

CCOC(=O)NCc1cc(C#Cc2cncc(C#N)c2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
GRM5 P41594 2/20 0.35
CYP1A2 P05177 1/20 0.35
NAMPT P43490 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1477920 0.87 JAK2 (0.39) SETDB1FFAR1FFAR4EGLN1NAMPT
SCHEMBL1476690 0.86 SETDB1 (0.48) SETDB1FFAR1FFAR4SCN2ASCN10A
SCHEMBL1477609 0.81 SLC6A4 (0.41) CYP11B1CYP11B2GRM5
SCHEMBL1476698 0.80 GABRA1 (0.42) TSHRSMN1; SMN2CYP1A2NAMPTLMNA
SCHEMBL1477044 0.80 PDCD1 (0.40) CYP11B1CYP11B2
SCHEMBL1477378 0.78 DPP4 (0.37) CYP11B1CYP11B2
SCHEMBL1477955 0.77 KDR (0.36) CYP11B1CYP11B2
SCHEMBL1477199 0.77 DPP4 (0.38) CYP11B1CYP11B2
SCHEMBL1477264 0.76 CYP11B1 (0.40) CYP11B1CYP11B2GRM5
SCHEMBL1478207 0.74 CYP11B1 (0.39) CYP11B1CYP11B2GRM5

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 3 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

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 SETDB1 4171/4885CYP11B1 1606/4885CYP11B2 1328/4885

“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.