SCHEMBL1797239

SCHEMBL1797239

CCC(C(=O)O)N1C(=O)C(CCSC)NC12CCN(C(=O)c1cnn(-c3ccc(Cl)cc3)c1C(F)(F)F)CC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.39
MAPT P10636 5/20 0.35
TRPC3 Q13507 1/20 0.35
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SPR P35270 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
PDK2 Q15119 2/20 0.33
HSP90AA1 P07900 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDK1 Q15118 1/20 0.33
CCR1 P32246 1/20 0.32
HSD11B1 P28845 1/20 0.32
MGLL Q99685 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2935425 0.86 GPR6 (0.39) GPR6MAPTTRPC3TP53KDM4E
SCHEMBL1802138 0.84 GPR6 (0.38) GPR6MAPTTRPC3TP53KDM4E
SCHEMBL4137683 0.81 GPR6 (0.41) GPR6MAPTTRPC3TP53KDM4E
SCHEMBL1800374 0.79 SCD (0.38) MAPTTP53MGLL
SCHEMBL1803209 0.78 TSHR (0.38) HSD11B1SMN1; SMN2
SCHEMBL1804472 0.76 PROKR1 (0.35) MGLLPOLB
SCHEMBL1801988 0.76 CHRNA4 (0.36)
SCHEMBL1802416 0.75 HRH3 (0.48) HSD11B1MGLL
SCHEMBL1800465 0.74 HTT (0.42) MAPTKDM4ELMNA
SCHEMBL1799557 0.74 HPGD (0.39) SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 GPR6 1696/4885MAPT 2471/4885TRPC3 2968/4885

“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.