SCHEMBL6811167

SCHEMBL6811167

CC(=O)OC1CCCc2ccc(N)cc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.50
DRD2 P14416 6/20 0.50
HTR7 P34969 6/20 0.50
ACHE P22303 2/20 0.41
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
IDO1 P14902 2/20 0.40
HSD17B3 P37058 1/20 0.35

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
SCHEMBL8312441 0.96 CHRM4 (0.47) CHRM4DRD2HTR7ACHEBRD4
SCHEMBL8307649 0.91 CHRM4 (0.49) CHRM4DRD2HTR7ACHEBRD4
SCHEMBL30290988 0.80 IDO1 (0.58) CHRM4DRD2HTR7IDO1
SCHEMBL4455923 0.80 IDO1 (0.58) CHRM4DRD2HTR7IDO1
SCHEMBL6987694 0.79 MTNR1A (0.52) CHRM4DRD2HTR7
SCHEMBL8308233 0.78 CHRM4 (0.47) CHRM4DRD2HTR7
SCHEMBL12070481 0.75 CHRM4 (0.44) CHRM4DRD2HTR7IDO1
SCHEMBL3817898 0.74 ESR1 (0.49) CHRM4DRD2HTR7
SCHEMBL3823105 0.74 ESR1 (0.49) CHRM4DRD2HTR7
SCHEMBL10823071 0.74 ESR1 (0.49) CHRM4DRD2HTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087124-A1 COMPOUNDS HAVING SEROTONIN 5-HT17 RECEPTOR ANTAGONIST ACTIVITY AND MUSCARINIC M4 RECEPTOR AGONIST ACTIVITY AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MITSUBISHI PHARMA CORPORATION (JP) 2004-10-14 WO disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 CHRM4 794/4885DRD2 1606/4885HTR7 1439/4885

“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.