SCHEMBL4887810

SCHEMBL4887810

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.33
EPHX2 P34913 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 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
SCHEMBL4973914 0.88 GAA (0.47) GAALMNAMAPTNPSR1PKM
SCHEMBL6130353 0.86 GAA (0.46) GAALMNAMAPTNPSR1PKM
SCHEMBL16118626 0.85 GAA (0.44) GAALMNAMAPTNPSR1PKM
SCHEMBL1074030 0.78 GAA (0.41) GAALMNAMAPTNPSR1PKM
SCHEMBL4889654 0.76 EPHX2 (0.49) EPHX2TSHR
SCHEMBL4889651 0.76 PKM (0.41) GAALMNAMAPTNPSR1PKM
SCHEMBL5608449 0.74 GAA (0.38) GAALMNAMAPTNPSR1PKM
SCHEMBL5608314 0.74 GAA (0.38) GAALMNAMAPTNPSR1PKM
SCHEMBL1073072 0.74 GAA (0.41) GAALMNAMAPTNPSR1PKM
SCHEMBL11224012 0.73 KDM4E (0.37) GAAEPHX2

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 GAA 994/4885LMNA 3362/4885MAPT 1393/4885

“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.