SCHEMBL1477501

SCHEMBL1477501

CC(C)(O)C#Cc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
GRM5 P41594 6/20 0.46
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGES O14684 1/20 0.42
TBXAS1 P24557 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40
CYP2D6 P10635 1/20 0.40
EGFR P00533 2/20 0.40
MAP3K14 Q99558 1/20 0.40
CYP2C9 P11712 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PGR P06401 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11443850 0.86 HAO1 (0.46) PTGESTBXAS1HAO1ASIC3CYP2D6
SCHEMBL29096090 0.85 KCNH2 (0.44) KCNH2GRM5MEN1RECQLKMT2A
SCHEMBL30597666 0.85 KCNH2 (0.44) KCNH2GRM5MEN1RECQLKMT2A
SCHEMBL23343637 0.85 KCNH2 (0.53) KCNH2GRM5HAO1CYP2D6CYP2C9
SCHEMBL11548830 0.82 PGR (0.50) KCNH2MEN1RECQLKMT2APTGES
SCHEMBL2858168 0.80 MAPT (0.38) MEN1RECQLKMT2APTGESTBXAS1
SCHEMBL2811570 0.79 GRM5 (0.44) GRM5HAO1ASIC3EGFRMAP3K14
SCHEMBL2629434 0.79 GRM5 (0.49) GRM5HAO1ASIC3EGFRMAP3K14
SCHEMBL28918698 0.79 NR1H2 (0.42) KCNH2GRM5PTGESCYP2D6CYP2C9
SCHEMBL30415560 0.79 NR1H2 (0.42) KCNH2GRM5PTGESCYP2D6CYP2C9

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-4210610-A CHLOROARYLHYDROXY SUBSTITUTED ACETYLENES GULF RESEARCH AND DEVELOPMENT COMPANY (US) 1980-07-01 US claimed
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
US-4210610-A CHLOROARYLHYDROXY SUBSTITUTED ACETYLENES GULF RESEARCH AND DEVELOPMENT COMPANY (US) 1980-07-01 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 KCNH2 325/4885GRM5 48/4885MEN1 4247/4885

“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.