SCHEMBL3315455

SCHEMBL3315455

CC1(C)[C@@H](COCc2ccccc2)C[C@H]1CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MPI P34949 1/20 0.36
SNCA P37840 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3318221 0.88 CYP2D6 (0.43) POLBSIGMAR1KMT2AHTTALDH1A1
SCHEMBL3318932 0.88 LTA4H (0.38) POLBSIGMAR1KMT2AGAAMEN1
SCHEMBL3317601 0.88 LTA4H (0.38) POLBSIGMAR1KMT2AGAAMEN1
SCHEMBL3316842 0.88 LMNA (0.44) SIGMAR1LMNALTA4HCTSLCTSB
SCHEMBL3316755 0.87 TSHR (0.47) SIGMAR1KMT2AMEN1NPSR1ALDH1A1
SCHEMBL3318925 0.86 MC4R (0.43) SIGMAR1KMT2AMEN1NPSR1ALDH1A1
SCHEMBL3315596 0.83 SIGMAR1 (0.43) SIGMAR1KMT2AMEN1TP53
SCHEMBL18723745 0.77 CCR5 (0.48)
SCHEMBL3316782 0.77 LTA4H (0.48) HTTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3316879 0.76 LTA4H (0.47) SIGMAR1ALDH1A1KDM4ELMNASMN1; 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 7 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
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 POLB 830/4885SIGMAR1 1/4885KMT2A 3217/4885

“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.