SCHEMBL4116705

SCHEMBL4116705

O=C(C#Cc1ccccc1)N1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
TMPRSS2 O15393 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAOA P21397 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 4/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AR P10275 1/20 0.50

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
SCHEMBL4118601 0.89 AR (0.52) NOTUMMEN1KMT2AMAPTTAAR1
SCHEMBL4105991 0.89 NPC1 (0.56) NOTUMMEN1KMT2AMAPTTAAR1
SCHEMBL4119191 0.89 RAB9A (0.56) NOTUMMEN1KMT2AMAPTTAAR1
SCHEMBL4111987 0.85 NPC1 (0.56) NOTUMMEN1KMT2AMAPTTAAR1
SCHEMBL4105538 0.85 ALDH1A1 (0.53) NOTUMMEN1KMT2AMAPTTAAR1
SCHEMBL4112012 0.85 TAS1R3 (0.47) NOTUMMEN1KMT2AMAPTTAAR1
SCHEMBL4118435 0.85 TAAR1 (0.62) NOTUMKMT2AMAPTTAAR1SMN1; SMN2
SCHEMBL4110473 0.85 NAMPT (0.49) NOTUMMEN1KMT2AMAPTTAAR1
SCHEMBL4119022 0.85 KMT2A (0.57) NOTUMMEN1KMT2AMAPTTAAR1
SCHEMBL6961137 0.85 NR1H2 (0.45) NOTUMMEN1KMT2AMAPTTAAR1

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 NOTUM 323/4885MEN1 1537/4885KMT2A 3779/4885

“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.