SCHEMBL6407111

SCHEMBL6407111

CN1CCC(=O)C(=C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 1/20 0.54
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36

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
SCHEMBL11488710 0.75 SETD7 (0.79) SETD7MAOAMAOBOPRD1DRD2
SCHEMBL6407088 0.75 ACHE (0.52) LMNAALDH1A1MEN1KMT2A
SCHEMBL4079255 0.71 SETD7 (1.00) SETD7MAOAMAOBOPRD1DRD2
SCHEMBL1524323 0.71 ALDH1A1 (0.41) SETD7MAOAMAOBLMNAALDH1A1
SCHEMBL31026695 0.71 MCL1 (0.42) SETD7MAOAMAOBLMNAALDH1A1
Benzoic Acid SCHEMBL22283806 0.67 SETD7 (0.55) SETD7MAOAMAOBOPRD1MAPT
SCHEMBL19838638 0.67 MAOA (0.62) SETD7MAOAMAOBDRD2DRD1
SCHEMBL11391911 0.66 SETD7 (0.64) SETD7OPRD1LMNAMEN1KMT2A
SCHEMBL28492274 0.65 CES1 (0.59) SETD7OPRD1MEN1KMT2A
SCHEMBL5594318 0.65 MCL1 (0.40) ALDH1A1MAPTHPGD

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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 — — US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 — — EP 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 SETD7 2042/4885MAOA 949/4885MAOB 706/4885

“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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