SCHEMBL1477039

SCHEMBL1477039

COC(=O)c1cncc(C#Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ATM Q13315 1/20 0.53
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 1/20 0.45
PTPN11 Q06124 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
GRM5 P41594 4/20 0.44
PTGES O14684 1/20 0.44
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42

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
Hydrochloric Acid SCHEMBL1477229 0.98 MAPT (0.54) MAPTATMALDH1A1TSHRL3MBTL1
SCHEMBL3714223 0.88 ALDH1A1 (0.62) MAPTATMALDH1A1L3MBTL1KDM4E
SCHEMBL16782152 0.85 ATM (0.47) MAPTATMALDH1A1RAB9ACYP11B1
SCHEMBL834845 0.84 CYP2C9 (0.60) MAPTALDH1A1TSHRL3MBTL1LMNA
SCHEMBL1477412 0.83 MAPT (0.51) MAPTL3MBTL1RAB9AEGLN1GRM5
SCHEMBL23012593 0.83 ATM (0.57) MAPTATMALDH1A1L3MBTL1KDM4E
SCHEMBL1477293 0.83 MAPT (0.56) MAPTGRM5PTGES
SCHEMBL834425 0.82 MAPT (0.58) MAPTALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL2747144 0.82 TSHR (0.57) MAPTALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL5685399 0.82 TSHR (0.57) MAPTALDH1A1TSHRL3MBTL1KDM4E

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 MAPT 3882/4885ATM 4448/4885ALDH1A1 3485/4885

“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.