SCHEMBL5596791

SCHEMBL5596791

CN(C)c1ncc2c3c(cccc13)N(C1CCCN(C(=O)OC(C)(C)C)C1)CC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.40
SCN9A Q15858 1/20 0.39
FPR2 P25090 1/20 0.39
BCHE P06276 2/20 0.39
HTR6 P50406 2/20 0.39
HCAR1 Q9BXC0 1/20 0.38
BRD4 O60885 1/20 0.38
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 1/20 0.37
USP30 Q70CQ3 3/20 0.37
TNF P01375 2/20 0.37
LITAF Q99732 2/20 0.37
KDM1A O60341 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 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
SCHEMBL5596618 0.90 BRD4 (0.42) HPGDSSCN9AFPR2BCHEHTR6
SCHEMBL5597044 0.88 SCN9A (0.42) HPGDSSCN9AFPR2BCHEHTR6
SCHEMBL5596748 0.88 HTR6 (0.41) HPGDSSCN9AFPR2BCHEHTR6
SCHEMBL5596364 0.87 TNF (0.40) HPGDSSCN9AFPR2BCHEHTR6
SCHEMBL5596881 0.86 FPR2 (0.42) HPGDSSCN9AFPR2BCHEHTR6
SCHEMBL5596624 0.86 FGFR4 (0.41) HPGDSSCN9AFPR2BCHEHTR6
SCHEMBL5596880 0.84 USP30 (0.43) HPGDSSCN9AFPR2BCHEHTR6
SCHEMBL5596756 0.83 HTR6 (0.40) HPGDSSCN9AFPR2BCHEHTR6
SCHEMBL5596780 0.82 TNF (0.43) SCN9AUSP30TNFLITAF
SCHEMBL5596980 0.81 USP30 (0.42) HPGDSSCN9AFPR2BCHEHTR6

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 HPGDS 4355/4885SCN9A 1303/4885FPR2 3865/4885

“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.