SCHEMBL5021336

SCHEMBL5021336

CC(C)(C)[C@H]1CCc2cnccc2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNA7 P36544 1/20 0.37
FDPS P14324 1/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL5021339 1.00 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL5021337 1.00 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL5021346 0.93 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL5021338 0.93 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL5021340 0.93 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL5021324 0.85 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL5021318 0.85 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL5021317 0.85 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL20132497 0.83 SIGMAR1 (0.52) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL19840378 0.82 SIGMAR1 (0.55) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS

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-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 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-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 SIGMAR1 18/4885CHRNB2 536/4885CHRNA4 307/4885

“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.