SCHEMBL5597002

SCHEMBL5597002

CC(NC(=O)CN(C)C)N1CCCC(N2CCc3cncc4cccc2c34)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5597107 0.80 MTNR1A (0.34) ALDH1A1LMNAMAPTGAA
SCHEMBL5596627 0.79 OPRM1 (0.30)
SCHEMBL5596815 0.77 DRD2 (0.30)
SCHEMBL5596803 0.76 HTR2A (0.41) ALDH1A1MAPT
SCHEMBL5596672 0.74 OPRL1 (0.36) ALDH1A1LMNAMAPTGAA
SCHEMBL5596693 0.74 DRD2 (0.40)
SCHEMBL5597140 0.74 MEN1 (0.41) ALDH1A1GAA
SCHEMBL5597043 0.74 PIK3CD (0.38) ALDH1A1
SCHEMBL5596886 0.73 DRD3 (0.40) LMNAMAPT
SCHEMBL5596548 0.73 PIK3CD (0.35) ALDH1A1

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
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A ALDH1A1 3199/4885LMNA 768/4885MAPT 3316/4885

“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.