SCHEMBL4118601

SCHEMBL4118601

O=C(C#Cc1ccccc1)N1Cc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.52
GRM5 P41594 3/20 0.51
NOTUM Q6P988 2/20 0.48
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 2/20 0.42
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 2/20 0.41
HSP90B1 P14625 1/20 0.41
TRAP1 Q12931 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
VCP P55072 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AGTR1 P30556 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
SCHEMBL4116705 0.89 NOTUM (0.55) ARGRM5NOTUMMEN1MAPT
SCHEMBL19823672 0.80 AR (0.61) ARGRM5NPSR1NPC1
SCHEMBL6631125 0.79 NOTUM (0.57) NOTUMNAMPTHSP90AA1HSP90AB1HSP90B1
SCHEMBL2474223 0.79 AR (0.64) ARGRM5NPSR1HSP90AA1MEN1
SCHEMBL24416093 0.79 AR (0.60) ARGRM5NPSR1MEN1KMT2A
SCHEMBL6961137 0.78 NR1H2 (0.45) ARGRM5NOTUMMEN1MAPT
SCHEMBL4124255 0.78 GRM5 (0.49) ARGRM5NAMPTNPC1RAB9A
SCHEMBL4105991 0.78 NPC1 (0.56) GRM5NOTUMMEN1MAPTKMT2A
SCHEMBL4119191 0.78 RAB9A (0.56) ARNOTUMMEN1MAPTKMT2A
SCHEMBL12124653 0.76 AR (0.50) ARGRM5NPSR1HSP90AA1VCP

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 7 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
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 AR 1652/4885GRM5 866/4885NOTUM 323/4885

“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.