SCHEMBL5905167

SCHEMBL5905167

COCCNCCCOc1ccc([C@@H](C)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ CHRNA7 P36544 1/20 0.42
▸ DRD2 P14416 3/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ KCNA5 P22460 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ LDHA P00338 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ ADRA1A P35348 1/20 0.37

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
SCHEMBL5905459 0.90 CHRNA7 (0.47) KDM4ECHRNA7DRD2HRH3SLC6A4
SCHEMBL5904992 0.90 CHRNA7 (0.47) KDM4ECHRNA7DRD2HRH3SLC6A4
SCHEMBL5905509 0.89 HRH3 (0.47) KDM4ECHRNA7DRD2HRH3SLC6A4
SCHEMBL5905546 0.89 HRH3 (0.47) KDM4ECHRNA7DRD2HRH3SLC6A4
SCHEMBL5905062 0.88 HRH3 (0.48) KDM4ECHRNA7DRD2HRH3SLC6A4
SCHEMBL5284002 0.88 HRH3 (0.48) KDM4ECHRNA7DRD2HRH3SLC6A4
SCHEMBL5905692 0.88 CHRNA7 (0.43) KDM4ECHRNA7DRD2HRH3SLC6A4
SCHEMBL5242490 0.87 CHRNA7 (0.48) KDM4ECHRNA7DRD2HRH3SLC6A4
SCHEMBL5904941 0.87 CHRNA7 (0.48) KDM4ECHRNA7DRD2HRH3SLC6A4
SCHEMBL5905534 0.86 CHRNA7 (0.47) KDM4ECHRNA7DRD2HRH3SLC6A4

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 KDM4E 1610/4885CHRNA7 403/4885DRD2 147/4885

“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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