SCHEMBL3148169

SCHEMBL3148169

O=C(O)c1cccc(C#CCN2CCN(c3nccs3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A7 Q99884 1/20 0.45
DRD2 P14416 2/20 0.43
DRD4 P21917 1/20 0.43
GRM5 P41594 1/20 0.41
HSD17B10 Q99714 1/20 0.40
AKR1C3 P42330 1/20 0.40
SCD O00767 1/20 0.39
MAPK14 Q16539 2/20 0.39
MMP13 P45452 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3151959 0.91 LMNA (0.43) LMNAMAPK1RAB9ASLC6A7DRD2
SCHEMBL3151993 0.91 RAB9A (0.43) LMNAMAPK1RAB9ASLC6A7DRD2
SCHEMBL3155636 0.88 DRD2 (0.43) LMNAMAPK1RAB9ASLC6A7DRD2
SCHEMBL3151241 0.88 RAB9A (0.41) LMNAMAPK1RAB9ASLC6A7DRD2
SCHEMBL3156513 0.88 DRD2 (0.44) LMNAMAPK1RAB9ASLC6A7DRD2
SCHEMBL3151625 0.87 SLC6A7 (0.48) LMNAMAPK1RAB9ASLC6A7DRD2
SCHEMBL3159277 0.86 DRD2 (0.46) LMNAMAPK1RAB9ASLC6A7DRD2
SCHEMBL3146586 0.85 GRM5 (0.40) LMNAMAPK1RAB9ASLC6A7DRD2
SCHEMBL3144817 0.84 GRM5 (0.52) LMNAMAPK1RAB9ASLC6A7DRD2
SCHEMBL3152047 0.84 SLC6A7 (0.47) LMNAMAPK1RAB9ASLC6A7DRD2

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 10 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 claimed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US claimed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
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 claimed
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 claimed
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 LMNA 2615/4885MAPK1 1290/4885RAB9A 2783/4885

“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.