SCHEMBL5904967

SCHEMBL5904967

CCC(O)COc1ccc(C(C)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.46
▸ DRD3 P35462 3/20 0.43
▸ HRH3 Q9Y5N1 5/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ KCNA5 P22460 2/20 0.41
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ LDHA P00338 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
SCHEMBL5904995 0.91 CHRNA7 (0.48) CHRNA7DRD3HRH3SLC6A4POLB
SCHEMBL5905461 0.91 CHRNA7 (0.48) CHRNA7DRD3HRH3SLC6A4POLB
SCHEMBL5243770 0.85 CHRNA7 (0.48) CHRNA7DRD3HRH3SLC6A4POLB
SCHEMBL5904941 0.85 CHRNA7 (0.48) CHRNA7DRD3HRH3SLC6A4POLB
SCHEMBL5281413 0.85 CHRNA7 (0.48) CHRNA7DRD3HRH3SLC6A4POLB
SCHEMBL5242490 0.85 CHRNA7 (0.48) CHRNA7DRD3HRH3SLC6A4POLB
SCHEMBL5242621 0.85 CHRNA7 (0.46) CHRNA7DRD3HRH3SLC6A4POLB
SCHEMBL5904963 0.84 CHRNA7 (0.47) CHRNA7DRD3HRH3SLC6A4POLB
SCHEMBL5905582 0.84 CHRNA7 (0.47) CHRNA7DRD3HRH3SLC6A4POLB
SCHEMBL5905534 0.84 CHRNA7 (0.47) CHRNA7DRD3HRH3SLC6A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 — — 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-20060009456-A1 Aryl-substituted piperazine derivatives MCHR1, MCHR2, PRLHR CHRNA7 403/4885DRD3 273/4885HRH3 136/4885

“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.

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