SCHEMBL6646110

SCHEMBL6646110

CCCN1CCN(c2cc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 2/20 0.61
▸ CASP3 P42574 2/20 0.61
▸ SENP8 Q96LD8 2/20 0.61
▸ SENP7 Q9BQF6 2/20 0.61
▸ CDC25B P30305 1/20 0.61
▸ DRD2 P14416 4/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ GPR84 Q9NQS5 1/20 0.46
▸ TNKS O95271 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ PARP1 P09874 2/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42

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
SCHEMBL6646122 0.87 APAF1 (0.59) APAF1CASP3SENP8SENP7CDC25B
SCHEMBL6649052 0.87 APAF1 (0.65) APAF1CASP3SENP8SENP7CDC25B
SCHEMBL6646477 0.85 APAF1 (0.59) APAF1CASP3SENP8SENP7CDC25B
SCHEMBL6644982 0.85 APAF1 (0.59) APAF1CASP3SENP8SENP7CDC25B
SCHEMBL6644935 0.84 APAF1 (0.57) APAF1CASP3SENP8SENP7CDC25B
SCHEMBL6645385 0.83 APAF1 (0.74) APAF1CASP3SENP8SENP7CDC25B
SCHEMBL31378554 0.81 APAF1 (0.60) APAF1CASP3SENP8SENP7CDC25B
SCHEMBL6648820 0.80 APAF1 (0.63) APAF1CASP3SENP8SENP7CDC25B
SCHEMBL6648819 0.79 CDC25B (0.69) APAF1CASP3SENP8SENP7CDC25B
SCHEMBL6648831 0.78 CDC25B (0.64) APAF1CASP3SENP8SENP7CDC25B

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 APAF1 318/4885CASP3 308/4885SENP8 2745/4885

“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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