SCHEMBL13416003

SCHEMBL13416003

CCCCOC[C@@H]1C[C@H](CCN2CCCCC2)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HRH3 Q9Y5N1 8/20 0.34
THRB P10828 3/20 0.34
CYP2C9 P11712 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD4 P21917 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL13415946 0.87 ALDH1A1 (0.44) CYP1A2ALDH1A1LMNAHRH3THRB
SCHEMBL8219690 0.86 ALDH1A1 (0.36) LTA4HCYP1A2ALDH1A1LMNAKDM4E
SCHEMBL8217438 0.77 SMN1; SMN2 (0.35) ALDH1A1THRBHRH2HRH1SMN1; SMN2
SCHEMBL3316879 0.74 LTA4H (0.47) LTA4HALDH1A1LMNAKDM4EHRH3
SCHEMBL8217836 0.74 LTA4H (0.38) LTA4HCYP1A2ALDH1A1LMNAKDM4E
SCHEMBL8220992 0.73 ALDH1A1 (0.40) CYP1A2ALDH1A1LMNAHRH3THRB
SCHEMBL3303079 0.70 LTA4H (0.54) LTA4HCYP1A2ALDH1A1LMNAHRH3
SCHEMBL15510652 0.70 HRH3 (0.53) LTA4HHRH3CYP2C9CHRM2CHRM4
SCHEMBL13415993 0.70 NPC1 (0.34) HRH3THRBHRH2HRH1SMN1; SMN2
SCHEMBL13415964 0.70 NPC1 (0.34) HRH3THRBHRH2HRH1SMN1; SMN2

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 2 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 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 LTA4H 2281/4885CYP1A2 104/4885ALDH1A1 1719/4885

“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.