SCHEMBL8213467

SCHEMBL8213467

CCCCOC[C@H]1C[C@@H](CN2CCN(c3ccccc3)CC2)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
SIGMAR1 Q99720 3/20 0.44
CHRNA7 P36544 1/20 0.43
DRD4 P21917 4/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD3 P35462 4/20 0.40
HTR1A P08908 3/20 0.40
HTR2A P28223 3/20 0.40
HRH1 P35367 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL8215445 0.90 DRD2 (0.43) DRD2SIGMAR1CHRNA7DRD4THRA
SCHEMBL13415997 0.90 DRD2 (0.43) DRD2SIGMAR1CHRNA7DRD4THRA
SCHEMBL3316755 0.84 TSHR (0.47) DRD2SIGMAR1CHRNA7DRD4TSHR
SCHEMBL8217438 0.80 SMN1; SMN2 (0.35) THRATHRBHRH1ALDH1A1
SCHEMBL8220992 0.79 ALDH1A1 (0.40) SIGMAR1THRATHRBTSHRHTR2A
SCHEMBL3318195 0.77 TSHR (0.46) DRD2SIGMAR1CHRNA7DRD4TSHR
SCHEMBL3317718 0.77 TSHR (0.46) DRD2SIGMAR1CHRNA7DRD4TSHR
Oxalic Acid SCHEMBL3322141 0.73 GRM5 (0.48) DRD2SIGMAR1DRD4TSHRKDM4E
SCHEMBL8210109 0.73 DRD2 (0.47) DRD2SIGMAR1CHRNA7DRD4THRA
SCHEMBL3315455 0.71 POLB (0.39) SIGMAR1KDM4EALDH1A1POLB

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 3 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
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 DRD2 272/4885SIGMAR1 1/4885CHRNA7 627/4885

“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.