SCHEMBL4124891

SCHEMBL4124891

N#Cc1ccccc1C#CCN1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 1/20 0.53
PRMT5 O14744 5/20 0.50
WDR77 Q9BQA1 3/20 0.50
ALDH1A1 P00352 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4118063 0.83 L3MBTL1 (0.46) CTSSCTSKCTSLPRMT5ALDH1A1
SCHEMBL4115826 0.80 CTSL (0.46) CTSSCTSKCTSLPRMT5MAOA
SCHEMBL4112009 0.80 PRMT5 (0.49) CTSSCTSKCTSLPRMT5WDR77
SCHEMBL4116702 0.79 LMNA (0.48) CTSSCTSKCTSLPRMT5WDR77
SCHEMBL30574999 0.78 ALDH1A1 (0.49) PRMT5WDR77ALDH1A1HTR7HTR1A
SCHEMBL4033643 0.78 ALDH1A1 (0.49) PRMT5WDR77ALDH1A1HTR7HTR1A
SCHEMBL4119251 0.76 HTR1A (0.46) CTSSCTSKCTSLPRMT5WDR77
SCHEMBL4118298 0.76 LMNA (0.48) CTSSCTSKCTSLPRMT5WDR77
SCHEMBL13754592 0.75 MAOA (0.48) ALDH1A1MAOAMAOBKDM4E
SCHEMBL4105989 0.74 HTR5A (0.54) ALDH1A1HTR7HTR1ADRD2HTR2A

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 CTSS 2487/4885CTSK 2512/4885CTSL 1292/4885

“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.