SCHEMBL4124253

SCHEMBL4124253

C(#Cc1ccccc1)CN1CCc2ncccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 1/20 0.38
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 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
SCHEMBL4116702 0.83 LMNA (0.48) LMNAMAPK1RAB9AHRH3DRD2
SCHEMBL11304665 0.79 DRD2 (0.39) LMNADRD2DRD4DRD3PIK3CA
SCHEMBL4118599 0.77 LMNA (0.50) GRM5LMNAMAPK1RAB9AHRH3
SCHEMBL1014048 0.76 MEN1 (0.58) LMNARAB9ADRD2DRD4DRD3
SCHEMBL6369544 0.73 MAPT (0.44) GRM5LMNAHRH3DRD2DRD4
SCHEMBL5368131 0.73 DRD2 (0.42) LMNAMAPK1RAB9ADRD2DRD4
SCHEMBL4124255 0.73 GRM5 (0.49) GRM5RAB9APIK3CAMTORSMN1; SMN2
SCHEMBL4105989 0.72 HTR5A (0.54) LMNAMAPK1DRD2DRD3KDM4E
SCHEMBL15936472 0.71 RYR2 (0.46) GRM5LMNAMAPK1RAB9AHRH3
SCHEMBL21182046 0.71 MAPT (0.58) LMNADRD2DRD4DRD3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 US claimed
EP-1968938-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079957-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 US disclosed
EP-1968938-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079957-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS 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-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS PCCA, PPARA, PTGES GRM5 866/4885LMNA 2581/4885MAPK1 3641/4885

“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.