SCHEMBL4886598

SCHEMBL4886598

BrC12CC3CC(CC(C3)C1I)C2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT6 P42226 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3846377 0.74 GRIN2D (0.35) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL2745866 0.72 SLC22A2 (0.33) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL3418491 0.70 GRIN2D (0.33) LMNASLC22A2SLC22A1GRIN2DGRIN3B
SCHEMBL10867032 0.67
SCHEMBL17007600 0.65 GRIN2D (0.30) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6432701 0.64 THRB (0.35) TSHRTHRB
SCHEMBL7030898 0.64 EPHX2 (0.34) LMNATSHRTHRB
SCHEMBL27817011 0.64 THRB (0.35) TSHRTHRB
SCHEMBL20745941 0.63
SCHEMBL8680357 0.62 GRIN2D (0.44) LMNASLC22A2SLC22A1GRIN2DGRIN3B

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-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 LMNA 3362/4885SLC22A2 3057/4885SLC22A1 2612/4885

“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.