SCHEMBL5596748

SCHEMBL5596748

CC(C)(C)OC(=O)N1CCCC(N2CCc3cnc(Cl)c4cccc2c34)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.41
BCHE P06276 3/20 0.41
HPGDS O60760 2/20 0.41
TNF P01375 2/20 0.40
LITAF Q99732 2/20 0.40
SCN9A Q15858 1/20 0.40
FPR2 P25090 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
BTK Q06187 1/20 0.39
BRD4 O60885 1/20 0.39
USP30 Q70CQ3 3/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL5596780 0.95 TNF (0.43) TNFLITAFSCN9AUSP30
SCHEMBL5596618 0.92 BRD4 (0.42) HTR6BCHEHPGDSTNFLITAF
SCHEMBL5597044 0.90 SCN9A (0.42) HTR6BCHEHPGDSSCN9AFPR2
SCHEMBL5596329 0.89 MEN1 (0.42) TNFLITAFFNTAFNTB
SCHEMBL5596364 0.89 TNF (0.40) HTR6BCHEHPGDSTNFLITAF
SCHEMBL5596881 0.88 FPR2 (0.42) HTR6BCHEHPGDSSCN9AFPR2
SCHEMBL5596791 0.88 HPGDS (0.40) HTR6BCHEHPGDSTNFLITAF
SCHEMBL5596624 0.87 FGFR4 (0.41) HTR6BCHEHPGDSTNFLITAF
SCHEMBL5596735 0.87 HSD11B1 (0.36) BTK
SCHEMBL5596880 0.85 USP30 (0.43) HTR6BCHEHPGDSSCN9AFPR2

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 HTR6 1910/4885BCHE 2862/4885HPGDS 4355/4885

“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.