SCHEMBL8219694

SCHEMBL8219694

CCCCOC[C@H]1C[C@@H](CN2CCC(c3ccccc3)CC2)C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
SLC18A3 Q16572 6/20 0.41
SIGMAR1 Q99720 3/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3315596 0.85 SIGMAR1 (0.43) DRD2SLC18A3SIGMAR1CARM1PRMT6
SCHEMBL8213467 0.84 DRD2 (0.44) DRD2SIGMAR1CYP2D6TSHR
SCHEMBL8219690 0.79 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3315735 0.79 SIGMAR1 (0.41) DRD2SLC18A3SIGMAR1CARM1PRMT6
SCHEMBL3319253 0.79 SIGMAR1 (0.41) DRD2SLC18A3SIGMAR1CARM1PRMT6
SCHEMBL8217438 0.78 SMN1; SMN2 (0.35) TP53
SCHEMBL3318922 0.77 SLC18A3 (0.54) DRD2SLC18A3SIGMAR1CARM1PRMT6
SCHEMBL8220992 0.77 ALDH1A1 (0.40) SIGMAR1MEN1TP53CYP1A2TSHR
SCHEMBL18723745 0.77 CCR5 (0.48) DRD2CCR5
SCHEMBL3316578 0.74 DRD2 (0.50) DRD2SLC18A3SIGMAR1CARM1PRMT6

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 272/4885SLC18A3 2261/4885SIGMAR1 1/4885

“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.