SCHEMBL2348851

SCHEMBL2348851

CN(CCNC(=O)C#Cc1cccc(Cl)c1)c1nncs1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.41
GRM5 P41594 8/20 0.37
VCP P55072 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
PTGES O14684 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL971825 0.84 PYGL (0.41) PYGLGRM5VCPUTS2RPTGES
SCHEMBL973186 0.84 PYGL (0.41) PYGLGRM5VCPUTS2RPTGES
SCHEMBL973508 0.83 GRM5 (0.42) PYGLGRM5VCPUTS2RALDH1A1
Hydrochloric Acid SCHEMBL972280 0.83 PYGL (0.41) PYGLGRM5VCPUTS2RPTGES
SCHEMBL972331 0.83 GRM5 (0.42) PYGLGRM5VCPUTS2RPTGES
SCHEMBL973076 0.82 PYGL (0.40) PYGLGRM5VCPUTS2RPTGES
SCHEMBL2348793 0.82 PYGL (0.41) PYGLGRM5VCPUTS2RPTGES
SCHEMBL971082 0.81 GRM5 (0.41) PYGLGRM5VCPUTS2RPTGES
SCHEMBL973631 0.80 GRM5 (0.40) PYGLGRM5VCPUTS2RPTGES
SCHEMBL972196 0.80 GRM5 (0.40) PYGLGRM5VCPUTS2RPTGES

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968963-B1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS GRUENENTHAL GMBH (DE) 2011-10-05 EP claimed
US-8008304-B2 [1] 1-(3-phenyl-propiolyl)-4-(thiophen-3-yl)-piperazine; pain treatments; mGluR5 receptor regulation Grüenthal GmbH (DE) 2011-08-30 US claimed
US-20080261996-A1 Substituted propiolic acid amides and their use for producing drugs GRUNENTHAL GMBH (DE) 2008-10-23 US claimed
EP-1968963-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079959-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS Grünenthal GmbH (DE) 2007-07-19 WO claimed
EP-1968963-B1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS GRUENENTHAL GMBH (DE) 2011-10-05 EP disclosed
US-8008304-B2 [1] 1-(3-phenyl-propiolyl)-4-(thiophen-3-yl)-piperazine; pain treatments; mGluR5 receptor regulation Grüenthal GmbH (DE) 2011-08-30 US disclosed
US-8008304-B2 [1] 1-(3-phenyl-propiolyl)-4-(thiophen-3-yl)-piperazine; pain treatments; mGluR5 receptor regulation Grüenthal GmbH (DE) 2011-08-30 US disclosed
US-20080261996-A1 Substituted propiolic acid amides and their use for producing drugs GRUNENTHAL GMBH (DE) 2008-10-23 US disclosed
US-20080261996-A1 Substituted propiolic acid amides and their use for producing drugs GRUNENTHAL GMBH (DE) 2008-10-23 US disclosed
EP-1968963-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079959-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS Grünenthal GmbH (DE) 2007-07-19 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-20080261996-A1 Substituted propiolic acid amides and their use for producing drugs PPARA, PCCA, PTGES PYGL 213/4885GRM5 834/4885VCP 1240/4885

“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.