SCHEMBL7596783

SCHEMBL7596783

COC(=O)CCC1CCN(C2CCN(Cc3ccccc3)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.54
BCHE P06276 2/20 0.54
CHRM4 P08173 2/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL6705674 0.81 DRD2 (0.59) ACHECHRM4DRD2DRD4KDM4E
SCHEMBL8446486 0.78 LTA4H (0.65) ACHEBCHEDRD2DRD4
SCHEMBL9218378 0.76 ACHE (0.64) ACHEBCHEDRD2DRD4
SCHEMBL2980930 0.76 DRD2 (0.67) ACHEBCHEDRD2DRD4
SCHEMBL13443303 0.75 MC4R (0.60) ACHEBCHEDRD2DRD4ALDH1A1
SCHEMBL5228308 0.75 ACHE (0.71) ACHEBCHEDRD2DRD4ALDH1A1
SCHEMBL13812393 0.75 ACHE (0.57) ACHECHRM4KDM4EALDH1A1
SCHEMBL13443092 0.74 ACHE (0.54) ACHEKDM4EALDH1A1
SCHEMBL9684004 0.74 ACHE (0.64) ACHEBCHE
SCHEMBL8572803 0.74 CHRM3 (0.48) CHRM4

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
US-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US disclosed
EP-1163242-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055162-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 ACHE 3857/4885BCHE 2641/4885CHRM4 2606/4885

“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.