SCHEMBL4124894

SCHEMBL4124894

N#Cc1ccccc1C#CC(=O)N1CCc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
TAS1R2 Q8TE23 1/20 0.60
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
NOTUM Q6P988 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
TMPRSS2 O15393 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL4118067 0.84 NPC1 (0.53) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL4112012 0.81 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL4115831 0.81 RAB9A (0.56) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL4116705 0.80 NOTUM (0.55) ALDH1A1SMN1; SMN2NOTUMKMT2AMEN1
SCHEMBL4118301 0.77 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL4119254 0.77 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL4105991 0.76 NPC1 (0.56) ALDH1A1SMN1; SMN2NOTUMKMT2AMEN1
SCHEMBL4119191 0.76 RAB9A (0.56) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL4113884 0.75 BCHE (0.53) ALDH1A1SMN1; SMN2NOTUMKMT2AMEN1
SCHEMBL4110501 0.75 RAB9A (0.57) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2

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 TAS1R3 3432/4885TAS1R1 4064/4885TAS1R2 3872/4885

“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.