SCHEMBL17586295

SCHEMBL17586295

CC12CC(CC(N)=O)(C1)C2

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
GRM1 Q13255 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5145929 0.98 PKM (0.50) PKMGRM1ALDH1A1TSHRHSD17B10
SCHEMBL5596073 0.88 PKM (0.42) PKM
SCHEMBL12858204 0.86 PKM (0.67) PKMALDH1A1TSHRHSD17B10
SCHEMBL21002214 0.84 PKM (0.48) PKMGRM1ALDH1A1TSHRHSD17B10
SCHEMBL22713155 0.82 PKM (0.46) PKMALDH1A1TSHRHSD17B10
SCHEMBL31493444 0.78 GRM1 (0.35) PKMGRM1
SCHEMBL4451716 0.78 MEN1 (0.56) MEN1KMT2A
SCHEMBL17586294 0.77 GRM1 (0.47) PKMGRM1ALDH1A1TSHR
SCHEMBL12858244 0.75 GRM1 (0.45) PKMGRM1ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL22553292 0.75 POLB (0.38) GRM1

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-20160075654-A1 BICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2016-03-17 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-20160075654-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 PKM 2397/4885GRM1 636/4885ALDH1A1 289/4885

“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.