SCHEMBL4986079

SCHEMBL4986079

CCCCCN(C)CC(N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
KCNH2 Q12809 2/20 0.42
GBA1 P04062 2/20 0.40
HTR2A P28223 3/20 0.40
HRH1 P35367 2/20 0.40
AOC3 Q16853 1/20 0.40
GGPS1 O95749 3/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4980028 0.81 MEN1 (0.45) SIGMAR1KCNH2GBA1TDP1
SCHEMBL4986011 0.78 SIGMAR1 (0.50) SIGMAR1KCNH2
SCHEMBL9827958 0.77 KCNH2 (0.45) SIGMAR1KCNH2HTR2AHRH1
SCHEMBL7790878 0.76 AOC3 (0.55) SIGMAR1KCNH2HTR2AHRH1AOC3
SCHEMBL4988311 0.75 SIGMAR1 (0.42) SIGMAR1KCNH2GBA1HTR2AHRH1
SCHEMBL869237 0.74 SLC2A1 (0.57) SIGMAR1HTR2AHRH1AOC3
SCHEMBL13132265 0.74 SLC2A1 (0.57) SIGMAR1HTR2AHRH1AOC3
SCHEMBL27287382 0.74 KCNH2 (0.58) SIGMAR1KCNH2HTR2AHRH1
SCHEMBL20683723 0.74 KCNH2 (0.48) SIGMAR1KCNH2AOC3TDP1
SCHEMBL2295530 0.74 HTR2A (0.64) KCNH2GBA1HTR2AHRH1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 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-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 SIGMAR1 279/4885KCNH2 4190/4885GBA1 426/4885

“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.