SCHEMBL4889651

SCHEMBL4889651

CC(=O)NC12CC3(C)CC(C)(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FFAR3 O14843 1/20 0.32
ALOX12 P18054 1/20 0.30
EPHX2 P34913 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
SCHEMBL25547182 0.88 ALDH1A1 (0.36) ALDH1A1FFAR3
SCHEMBL4973914 0.86 GAA (0.47) PKMRAB9AGAALMNAMAPT
SCHEMBL6130353 0.84 GAA (0.46) PKMRAB9AGAALMNAMAPT
SCHEMBL16118626 0.84 GAA (0.44) PKMRAB9AGAALMNAMAPT
SCHEMBL14003882 0.81 PKM (0.43) PKMRAB9AGAALMNAMAPT
SCHEMBL301039 0.79 PKM (0.59) PKMRAB9ATSHRHSD17B10ALDH1A1
SCHEMBL2745710 0.77 PKM (0.56) PKMRAB9ATSHRHSD17B10ALDH1A1
SCHEMBL4879234 0.77 EPHX2 (0.48) TSHREPHX2
SCHEMBL13738157 0.77
SCHEMBL1074030 0.77 GAA (0.41) PKMRAB9AGAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US disclosed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US disclosed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 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-20080275112-A1 Invention Concerning Aminoadamantane Compounds GABRA5, GABRA1, GABRA4 PKM 2313/4885RAB9A 1398/4885GAA 994/4885

“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.