SCHEMBL4096134

SCHEMBL4096134

C[C@H]1CC(C)(C)C[C@](C)(N)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ADRB3 P13945 1/20 0.31
ACHE P22303 1/20 0.31
OPRK1 P41145 1/20 0.31
MTOR P42345 1/20 0.31
HTT P42858 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 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
SCHEMBL658128 1.00 ESR1 (0.38) ESR1ESR2LMNAGRIN1GRIN2A
SCHEMBL635664 1.00 ESR1 (0.38) ESR1ESR2LMNAGRIN1GRIN2A
Ammonia Solution, Strong SCHEMBL8948373 0.97 ESR1 (0.37) ESR1ESR2LMNAGRIN1GRIN2A
SCHEMBL635941 0.85 ESR1 (0.35) ESR1ESR2
SCHEMBL5586346 0.80
SCHEMBL4413629 0.80 ESR1 (0.45) ESR1ESR2CYP2D6
SCHEMBL540773 0.79 ESR1 (0.38) ESR1ESR2LMNAGRIN1GRIN2A
SCHEMBL24927799 0.75
SCHEMBL1003423 0.74 LMNA (0.31) ESR1LMNAGRIN1GRIN2ASLC22A1
SCHEMBL910279 0.73

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-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-05-14 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-20090124659-A1 Combination therapy using 1-aminocyclohexane derivatives and acetylcholinesterase and inhibitors ACHE, BACE1, BCHE ESR1 876/4885ESR2 823/4885LMNA 1950/4885

“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.