SCHEMBL5905459

SCHEMBL5905459

COCCOc1ccc([C@@H](C)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.45
▸ DRD3 P35462 3/20 0.44
▸ KCNA5 P22460 3/20 0.44
▸ DRD2 P14416 2/20 0.44
▸ SLC6A4 P31645 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ LDHA P00338 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL5904992 1.00 CHRNA7 (0.47) CHRNA7HRH3DRD3KCNA5DRD2
SCHEMBL5242490 0.91 CHRNA7 (0.48) CHRNA7HRH3DRD3KCNA5DRD2
SCHEMBL5904941 0.91 CHRNA7 (0.48) CHRNA7HRH3DRD3KCNA5DRD2
SCHEMBL5243770 0.91 CHRNA7 (0.48) CHRNA7HRH3DRD3KCNA5DRD2
SCHEMBL5242621 0.90 CHRNA7 (0.46) CHRNA7HRH3DRD3KCNA5DRD2
SCHEMBL5905534 0.90 CHRNA7 (0.47) CHRNA7HRH3DRD3KCNA5DRD2
SCHEMBL5905582 0.90 CHRNA7 (0.47) CHRNA7HRH3DRD3KCNA5DRD2
SCHEMBL5905167 0.90 KDM4E (0.44) CHRNA7HRH3DRD3KCNA5DRD2
SCHEMBL5905425 0.89 CHRNA7 (0.47) CHRNA7HRH3DRD3KCNA5DRD2
SCHEMBL5284002 0.88 HRH3 (0.48) CHRNA7HRH3DRD3KCNA5DRD2

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
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 — — US claimed
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 403/4885HRH3 136/4885DRD3 273/4885

“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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