SCHEMBL4119018

SCHEMBL4119018

CC(C)(C)c1ccc(C#CCN2CCc3ccccc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
LMNA P02545 1/20 0.43
KDM4E B2RXH2 3/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
CARM1 Q86X55 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL4110468 0.87 PRMT5 (0.43) CTSLCTSSCTSKLMNAKDM4E
SCHEMBL4116702 0.84 LMNA (0.48) CTSLCTSSCTSKLMNAKDM4E
SCHEMBL4105989 0.82 HTR5A (0.54) LMNAKDM4EDRD2DRD3MAPK1
SCHEMBL4118432 0.82 TDP1 (0.60) KDM4EDRD2DRD3MEN1MAPT
SCHEMBL4106023 0.79 MEN1 (0.44) CTSLCTSSCTSKKDM4EMEN1
SCHEMBL4110500 0.78 MEN1 (0.50) CTSLCTSSCTSKLMNAKDM4E
SCHEMBL4105536 0.76 MEN1 (0.44) CTSLCTSSCTSKKDM4EMEN1
SCHEMBL16724557 0.76 MEN1 (0.58) LMNAKDM4EMEN1MAPTKMT2A
SCHEMBL4105543 0.76 MEN1 (0.46) CTSLCTSSCTSKKDM4EDRD2
SCHEMBL4113673 0.76 POLB (0.52) CTSLCTSSCTSKKDM4EDRD2

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 2 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
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 US 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 CTSL 1292/4885CTSS 2487/4885CTSK 2512/4885

“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.