SCHEMBL3318990

SCHEMBL3318990

CC1(C)[C@H](CC(=O)O)C[C@@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
SLC6A12 P48065 3/20 0.35
SLC6A11 P48066 3/20 0.35
SLC6A13 Q9NSD5 3/20 0.35
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3319955 1.00 GRM2 (0.39) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL6441950 0.80 GRM2 (0.37) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL15747165 0.77 GRM2 (0.41) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL23533458 0.76 ALOX5 (0.45)
SCHEMBL11693243 0.76 GRM2 (0.38) GRM2GRM5GRM1CYP1A2
SCHEMBL6152852 0.75 GRM2 (0.39) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL13851453 0.75 GRM2 (0.39) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL3321354 0.74 NR1H2 (0.36)
SCHEMBL4905394 0.73 GRM2 (0.38) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL18723739 0.73 GRM2 (0.38) GRM2GRM5GRM1SLC6A12SLC6A11

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 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 GRM2 689/4885GRM5 375/4885GRM1 594/4885

“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.