SCHEMBL3317799

SCHEMBL3317799

CC1CCN(C[C@@H]2C[C@H](CCOCc3ccccc3)C2(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
HTT P42858 2/20 0.38
LTA4H P09960 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3316782 0.89 LTA4H (0.48) KDM4ELMNAALDH1A1HTTLTA4H
SCHEMBL3319253 0.89 SIGMAR1 (0.41) SIGMAR1
SCHEMBL3315735 0.89 SIGMAR1 (0.41) SIGMAR1
SCHEMBL3316138 0.88 LTA4H (0.47) KDM4ELMNAALDH1A1SIGMAR1HTT
SCHEMBL3318052 0.88 LTA4H (0.47) KDM4ELMNAALDH1A1SIGMAR1HTT
SCHEMBL3318807 0.87 RAB9A (0.41) KDM4EALDH1A1SIGMAR1LTA4HNPC1
SCHEMBL3318258 0.87 RAB9A (0.41) KDM4EALDH1A1SIGMAR1LTA4HNPC1
SCHEMBL3318043 0.86 LTA4H (0.37) KDM4ELMNAALDH1A1SIGMAR1HTT
SCHEMBL3318932 0.86 LTA4H (0.38) KDM4ELMNAALDH1A1SIGMAR1HTT
SCHEMBL3317601 0.86 LTA4H (0.38) KDM4ELMNAALDH1A1SIGMAR1HTT

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 ACHE 3716/4885KDM4E 2458/4885LMNA 868/4885

“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.