SCHEMBL4119022

SCHEMBL4119022

CC(C)(C)c1ccc(C#CC(=O)N2CCc3ccccc3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 1/20 0.57
NOTUM Q6P988 1/20 0.50
TAAR1 Q96RJ0 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
RIPK1 Q13546 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
TMPRSS2 O15393 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4110473 0.88 NAMPT (0.49) KMT2AMEN1MAPTKDM4EMAPK1
SCHEMBL4119191 0.86 RAB9A (0.56) KMT2AMEN1MAPTMAPK1NOTUM
SCHEMBL4116705 0.85 NOTUM (0.55) KMT2AMEN1MAPTKDM4ENOTUM
SCHEMBL4105991 0.83 NPC1 (0.56) KMT2AMEN1MAPTNOTUMTAAR1
SCHEMBL4118435 0.82 TAAR1 (0.62) KMT2AMAPTNOTUMTAAR1ALDH1A1
SCHEMBL4106025 0.80 RAB9A (0.56) KMT2AMEN1MAPTNOTUMTAAR1
SCHEMBL4110501 0.80 RAB9A (0.57) KMT2AMEN1MAPTNOTUMTAAR1
SCHEMBL3455632 0.78 HSP90AA1 (0.67) KMT2AMEN1MAPTKDM4EMAPK1
SCHEMBL4105538 0.78 ALDH1A1 (0.53) KMT2AMEN1MAPTNOTUMTAAR1
SCHEMBL4113675 0.77 GRM5 (0.54) KMT2AMEN1MAPTKDM4ENOTUM

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 KMT2A 3779/4885MEN1 1537/4885MAPT 892/4885

“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.