SCHEMBL971740

SCHEMBL971740

CN(CCN(C)c1nccs1)C(=O)C#Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
GRM5 P41594 1/20 0.40
VCP P55072 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.37
NR3C1 P04150 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PPARG P37231 1/20 0.37
FFAR2 O15552 1/20 0.35
LMNA P02545 1/20 0.35
HDAC1 Q13547 2/20 0.34
UTS2R Q9UKP6 2/20 0.33
PLA2G4A P47712 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLS O94925 1/20 0.33

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
SCHEMBL14024208 0.93 NPSR1 (0.45) NPSR1GRM5VCPTRPM8NR3C1
SCHEMBL973396 0.88 GRM5 (0.39) NPSR1GRM5VCPTRPM8FFAR1
SCHEMBL971987 0.87 GRM5 (0.41) NPSR1GRM5VCPPPARGFFAR2
SCHEMBL972388 0.87 GRM5 (0.40) GRM5FFAR1SMN1; SMN2
SCHEMBL971722 0.86 GRM5 (0.40) NPSR1GRM5NR3C1FFAR1PPARG
SCHEMBL972786 0.83 NPSR1 (0.47) NPSR1GRM5VCPTRPM8NR3C1
SCHEMBL973997 0.81 VCP (0.43) NPSR1GRM5VCPTRPM8NR3C1
SCHEMBL973602 0.79 NPSR1 (0.48) NPSR1GRM5VCPLMNANPC1
SCHEMBL8229257 0.79 SLC6A7 (0.44) TRPM8NR3C1LMNANPC1TP53
SCHEMBL974786 0.78 PPARG (0.37) TRPM8NR3C1FFAR1FFAR4PPARG

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 NPSR1 2198/4885GRM5 1623/4885VCP 1575/4885

“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.