SCHEMBL6646824

SCHEMBL6646824

CN1CCN(CCCc2cc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ PARP1 P09874 6/20 0.48
▸ TNKS O95271 2/20 0.48
▸ PARP2 Q9UGN5 2/20 0.47
▸ MPO P05164 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL6646614 0.89 PARP1 (0.60) LOXL2PARP1PARP2HRH3HTR1A
SCHEMBL6645998 0.88 PARP1 (0.62) LOXL2PARP1PARP2HRH3HTR1A
SCHEMBL6648966 0.88 PARP1 (0.62) LOXL2PARP1PARP2HRH3HTR1A
SCHEMBL6645453 0.85 HRH4 (0.68) HRH4LOXL2PARP1TNKSKDM4E
SCHEMBL6646122 0.82 APAF1 (0.59) PARP1TNKSMPOMEN1KMT2A
SCHEMBL6643929 0.81 HRH3 (0.67) LOXL2PARP1MPOKMT2AHRH3
SCHEMBL6648629 0.80 HRH3 (0.65) LOXL2PARP1MPOKMT2AHRH3
SCHEMBL6645634 0.80 HRH3 (0.65) LOXL2PARP1MPOKMT2AHRH3
SCHEMBL3442646 0.79 PARP1 (0.45) LOXL2PARP1TNKSPARP2KDM4E
SCHEMBL7343701 0.77 LOXL2 (0.60) LOXL2PARP1TNKSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 HRH4 2085/4885LOXL2 4680/4885PARP1 2/4885

“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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