SCHEMBL13675228

SCHEMBL13675228

CCc1ccc2c(c1)nc(N1CCCC1)n2C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 3/20 0.45
HDAC6 Q9UBN7 1/20 0.41
MCHR1 Q99705 1/20 0.40
KCNH2 Q12809 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD11B1 P28845 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
PKM P14618 1/20 0.37
SOS1 Q07889 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14160614 0.80 HSD11B1 (0.46) MCHR1MAPTKDM4EHSD11B1TRPV1
SCHEMBL6235131 0.78 ALDH1A1 (0.47) MCHR1HRH4ALDH1A1MAPTKDM4E
SCHEMBL25599594 0.77 ALDH1A1 (0.47) HDAC6MCHR1HRH4ALDH1A1LMNA
SCHEMBL25598202 0.77 ALDH1A1 (0.49) MCHR1ALDH1A1MAPTKDM4ENPSR1
SCHEMBL13672559 0.76 HSD11B1 (0.49) MCHR1HRH4HRH3LMNAMAPT
SCHEMBL16152949 0.76 RAB9A (0.42) TRPC5HDAC6MCHR1ALDH1A1LMNA
SCHEMBL464392 0.76 MAPT (0.59) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL23490723 0.74 NPC1 (0.46) TRPC5KCNH2HRH4HRH3ALDH1A1
SCHEMBL14685207 0.74 HSD11B1 (0.60) ALDH1A1LMNAMAPTKDM4ETSHR
SCHEMBL4258690 0.74 HDAC6 (0.53) HDAC6KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB TRPC5 2354/4885HDAC6 105/4885MCHR1 3202/4885

“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.