SCHEMBL5284002

SCHEMBL5284002

CNCCOc1ccc(C(C)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.48
▸ SLC6A4 P31645 6/20 0.48
▸ CHRNA7 P36544 1/20 0.46
▸ KCNA5 P22460 2/20 0.43
▸ POLB P06746 1/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ LDHA P00338 1/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 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
SCHEMBL5905546 0.97 HRH3 (0.47) HRH3SLC6A4CHRNA7KCNA5POLB
SCHEMBL5905509 0.97 HRH3 (0.47) HRH3SLC6A4CHRNA7KCNA5POLB
SCHEMBL5905062 0.91 HRH3 (0.48) HRH3SLC6A4CHRNA7KCNA5POLB
SCHEMBL5905692 0.90 CHRNA7 (0.43) HRH3SLC6A4CHRNA7KCNA5POLB
SCHEMBL5243770 0.89 CHRNA7 (0.48) HRH3SLC6A4CHRNA7KCNA5POLB
SCHEMBL5904941 0.89 CHRNA7 (0.48) HRH3SLC6A4CHRNA7KCNA5POLB
SCHEMBL5242490 0.89 CHRNA7 (0.48) HRH3SLC6A4CHRNA7KCNA5POLB
SCHEMBL5905582 0.88 CHRNA7 (0.47) HRH3SLC6A4CHRNA7KCNA5POLB
SCHEMBL5905534 0.88 CHRNA7 (0.47) HRH3SLC6A4CHRNA7KCNA5POLB
SCHEMBL5905459 0.88 CHRNA7 (0.47) HRH3SLC6A4CHRNA7KCNA5POLB

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
EP-1756107-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2007-02-28 — — EP claimed
WO-2006009789-A2 ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES NEUROGEN CORPORATION (US) 2006-01-26 — — WO claimed
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 — — US claimed

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 HRH3 136/4885SLC6A4 490/4885CHRNA7 403/4885

“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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