SCHEMBL12858008

SCHEMBL12858008

CN(C)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL14075738 0.84 MEN1 (0.37) PKMTSHRHSD17B10ALDH1A1MEN1
SCHEMBL22887049 0.81 PKM (0.38) PKMSMN1; SMN2MEN1KMT2A
SCHEMBL30937226 0.77 MEN1 (0.34) TSHRALDH1A1MEN1KMT2A
SCHEMBL19766525 0.77 MEN1 (0.34) PKMTSHRALDH1A1MEN1KMT2A
SCHEMBL19639618 0.75 GRM1 (0.37) MEN1KMT2A
Hydrochloric Acid SCHEMBL27190969 0.75 MEN1 (0.33) PKMMEN1KMT2A
SCHEMBL22581351 0.75 PKM (0.41) PKMSMN1; SMN2RAB9ATSHRHSD17B10
SCHEMBL19639655 0.71 MEN1 (0.32) MEN1KMT2A
SCHEMBL301039 0.70 PKM (0.59) PKMSMN1; SMN2RAB9ATSHRHSD17B10
SCHEMBL14031469 0.70 FFAR3 (0.35) SMN1; SMN2TSHRHSD17B10ALDH1A1GAA

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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP PKM 3506/4885SMN1; SMN2 2222/4885RAB9A 4198/4885

“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.