SCHEMBL3318922

SCHEMBL3318922

CC1(C)[C@@H](CCO)C[C@H]1CN1CCC(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.54
DRD2 P14416 1/20 0.47
CCR5 P51681 4/20 0.46
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
HTR7 P34969 2/20 0.43
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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 0.84 DRD2 (0.50) SLC18A3DRD2CARM1PRMT6HTR7
SCHEMBL3313308 0.82 HTR7 (0.49) SLC18A3DRD2CARM1PRMT6HTR7
SCHEMBL3315735 0.81 SIGMAR1 (0.41) SLC18A3DRD2CCR5CARM1PRMT6
SCHEMBL3319253 0.81 SIGMAR1 (0.41) SLC18A3DRD2CCR5CARM1PRMT6
SCHEMBL3315596 0.78 SIGMAR1 (0.43) SLC18A3DRD2CCR5CARM1PRMT6
SCHEMBL8219694 0.77 DRD2 (0.48) SLC18A3DRD2CCR5CARM1PRMT6
SCHEMBL3318322 0.74 CHRM5 (0.34)
SCHEMBL3317866 0.74 CHRM5 (0.34)
SCHEMBL3316747 0.72 DRD2 (0.51) DRD2HTR7
SCHEMBL3318503 0.72 KDM4E (0.38) MEN1KMT2A

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 SLC18A3 2261/4885DRD2 272/4885CCR5 1001/4885

“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.