SCHEMBL3161990

SCHEMBL3161990

O=C(O)C#Cc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.47
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NTSR1 P30989 1/20 0.39
MAOB P27338 2/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
CNR2 P34972 1/20 0.36
POLQ O75417 1/20 0.36
ACP3 P15309 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
SCHEMBL18104887 0.87 FFAR1 (0.50) FFAR1PTGDR2GAAPOLBLMNA
SCHEMBL2747573 0.83 FFAR1 (0.39) FFAR1PTGDR2GAAPOLBLMNA
SCHEMBL8058320 0.80 FFAR1 (0.45) FFAR1PTGDR2GAAPOLBLMNA
SCHEMBL20089255 0.80 FFAR1 (0.45) FFAR1PTGDR2GAAPOLBLMNA
SCHEMBL30772315 0.80 HSP90AA1 (0.48) FFAR1POLBLMNAALDH1A1HPGD
SCHEMBL7807029 0.75 FFAR1 (0.47) FFAR1PTGDR2GAALMNANFKB1
SCHEMBL30467436 0.75 PTGDR2 (0.43) FFAR1PTGDR2ALDH1A1HSP90AA1NTSR1
SCHEMBL6773718 0.75 PTGDR2 (0.43) FFAR1PTGDR2ALDH1A1HSP90AA1NTSR1
SCHEMBL563999 0.75 FFAR1 (0.60) FFAR1PTGDR2LMNAALDH1A1HPGD
SCHEMBL4725495 0.74 FFAR1 (0.56) FFAR1PTGDR2GAAALDH1A1HSP90AA1

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
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP disclosed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 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-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 FFAR1 305/4885PTGDR2 55/4885GAA 4756/4885

“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.