SCHEMBL3313308

SCHEMBL3313308

CC1(C)[C@@H](CCN2CCC(c3ccccc3)CC2)C[C@H]1CN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.49
DRD2 P14416 1/20 0.48
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
SLC18A3 Q16572 4/20 0.45
CYP2D6 P10635 2/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 5/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL3316578 0.88 DRD2 (0.50) HTR7DRD2CARM1PRMT6SLC18A3
SCHEMBL3316747 0.88 DRD2 (0.51) HTR7DRD2CYP2D6HTR2CKCNH2
SCHEMBL3318085 0.84 SIGMAR1 (0.49) CARM1PRMT6KCNH2SIGMAR1TSHR
SCHEMBL3318922 0.82 SLC18A3 (0.54) HTR7DRD2CARM1PRMT6SLC18A3
SCHEMBL3315327 0.79 HTR7 (0.51) HTR7DRD2CARM1PRMT6SLC18A3
SCHEMBL18723467 0.78 GAA (0.35) CYP2D6HTR2CKCNH2MEN1CYP1A2
SCHEMBL3318467 0.77 HTR7 (0.45) HTR7DRD2HTR2CHTR1A
SCHEMBL3319253 0.76 SIGMAR1 (0.41) HTR7DRD2CARM1PRMT6SLC18A3
SCHEMBL3315735 0.76 SIGMAR1 (0.41) HTR7DRD2CARM1PRMT6SLC18A3
SCHEMBL3318057 0.75 NPC1 (0.45) KCNH2SIGMAR1MEN1CYP1A2TSHR

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 8 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
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
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 HTR7 185/4885DRD2 272/4885CARM1 2863/4885

“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.