SCHEMBL3313387

SCHEMBL3313387

C[C@@H]1CN(C[C@@H]2C[C@H](CCO)C2(C)C)C[C@H](C)O1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDK1 Q15118 1/20 0.32
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
SCHEMBL3315479 0.76 KDM4E (0.38) SMN1; SMN2
SCHEMBL3318322 0.76 CHRM5 (0.34)
SCHEMBL3317866 0.76 CHRM5 (0.34)
SCHEMBL18723554 0.69
SCHEMBL1564250 0.66 SIGMAR1 (0.55) EBPSIGMAR1PDK1
SCHEMBL296049 0.66 SIGMAR1 (0.55) EBPSIGMAR1PDK1
SCHEMBL14067375 0.65 SIGMAR1 (0.48) EBPSIGMAR1PDK1SMN1; SMN2
SCHEMBL1469874 0.63 SIGMAR1 (0.62) EBPSIGMAR1PDK1
SCHEMBL1469872 0.63 SIGMAR1 (0.62) EBPSIGMAR1PDK1
SCHEMBL4021413 0.61 SIGMAR1 (0.66) EBPSIGMAR1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066648-B1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2017-04-12 EP claimed
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US claimed
EP-2066648-B1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2017-04-12 EP disclosed
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 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-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS SIGMAR1, TMEM97, OPRK1 EBP 294/4885SIGMAR1 1/4885PDK1 2964/4885

“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.