SCHEMBL5596476

SCHEMBL5596476

COc1ncc2c3c(cccc13)N(C1CCC(=O)CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
SCD O00767 3/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GAA P10253 2/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL5596498 0.87 OPRM1 (0.34) SCDHTR2CHTR2BOPRM1OPRD1
SCHEMBL5596722 0.86 SCN9A (0.41) SCN9ASCDHTR2CHTR2BOPRM1
SCHEMBL5596983 0.84 SCN9A (0.41) SCN9ASCDHTR2CHTR2BGAA
SCHEMBL5596727 0.83 SCN9A (0.39) SCN9ASCDHTR2CHTR2BALDH1A1
SCHEMBL5596787 0.83 SCN9A (0.39) SCN9ASCDHTR2CHTR2BOPRM1
SCHEMBL5596836 0.82 GRIN1 (0.35) GAAKMT2AKDM4EALDH1A1HTT
SCHEMBL5596751 0.81 HTR2C (0.48) HTR2CHTR2BHTR2A
SCHEMBL5596415 0.80 SCN9A (0.37) SCN9ASCDHTR2CHTR2BOPRM1
SCHEMBL5596288 0.79 MEN1 (0.41) KMT2AALDH1A1POLBDRD2
SCHEMBL5596359 0.77 GRM5 (0.38) SCN9A

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 SCN9A 1303/4885SCD 4850/4885HTR2C 1430/4885

“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.