SCHEMBL3146038

SCHEMBL3146038

C(#Cc1ccccc1)CN1CCN(c2nc(-c3ccccc3)ns2)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
GRM5 P41594 1/20 0.44

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
SCHEMBL3151905 0.92 FAAH (0.53) FAAHRAB9ANPC1
SCHEMBL3164001 0.89 FAAH (0.56) FAAHRAB9ANPC1LMNA
SCHEMBL3155763 0.89 FAAH (0.53) FAAHRAB9ANPC1
SCHEMBL3154397 0.89 FAAH (0.48) FAAHRAB9ANPC1MAPK1
SCHEMBL3150913 0.85 FAAH (0.51) FAAHRAB9ANPC1
SCHEMBL3147943 0.84 LMNA (0.45) RAB9ANPC1LMNAMAPK1GRM5
SCHEMBL3149984 0.82 FAAH (0.48) FAAHRAB9ANPC1MAPK1
SCHEMBL3152662 0.81 LMNA (0.43) RAB9ALMNAMAPK1GRM5
SCHEMBL3151396 0.81 LMNA (0.43) FAAHRAB9ALMNAMAPK1GRM5
SCHEMBL3150475 0.80 CETP (0.44) FAAHRAB9ANPC1LMNA

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 FAAH 771/4885RAB9A 2783/4885NPC1 1584/4885

“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.