SCHEMBL3316879

SCHEMBL3316879

CC1(C)[C@H](COCc2ccccc2)C[C@@H]1CCN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
LMNA P02545 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPY1R P25929 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL3318221 0.88 CYP2D6 (0.43) LTA4HSIGMAR1ALDH1A1EGFR
SCHEMBL3316842 0.88 LMNA (0.44) LTA4HLMNASIGMAR1HRH3RAB9A
SCHEMBL3318052 0.81 LTA4H (0.47) LTA4HLMNASIGMAR1HRH3NPC1
SCHEMBL3316138 0.81 LTA4H (0.47) LTA4HLMNASIGMAR1HRH3NPC1
SCHEMBL3315476 0.79 TSHR (0.39) LMNASLC6A3KDM4E
SCHEMBL3316782 0.79 LTA4H (0.48) LTA4HLMNAHRH3SLC6A3NPC1
SCHEMBL3318925 0.79 MC4R (0.43) LTA4HSIGMAR1NPC1RAB9ASMN1; SMN2
Alcohol SCHEMBL3317840 0.77 TSHR (0.37) LMNASLC6A3KDM4E
SCHEMBL3315455 0.76 POLB (0.39) LTA4HLMNASIGMAR1SMN1; SMN2KDM4E
SCHEMBL3317381 0.75 SIGMAR1 (0.54) SIGMAR1HRH3

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 9 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-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-06-10 EP claimed
WO-2008015266-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-02-07 WO 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
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
EP-2066648-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-06-10 EP disclosed
WO-2008015266-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-02-07 WO 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 2281/4885LMNA 868/4885SIGMAR1 1/4885

“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.