SCHEMBL5596722

SCHEMBL5596722

Cc1ncc2c3c(cccc13)N(C1CCC(=O)CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
SCD O00767 5/20 0.38
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
MDM2 Q00987 1/20 0.31

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
SCHEMBL5596983 0.88 SCN9A (0.41) SCN9ASCDOPRM1OPRD1OPRK1
SCHEMBL5596727 0.87 SCN9A (0.39) SCN9ASCDOPRM1OPRD1OPRK1
SCHEMBL5596787 0.87 SCN9A (0.39) SCN9ASCDOPRM1OPRD1OPRK1
SCHEMBL5596476 0.86 SCN9A (0.37) SCN9ASCDOPRM1OPRD1OPRK1
SCHEMBL5597208 0.85 OPRM1 (0.37) SCDOPRM1OPRD1OPRK1OPRL1
SCHEMBL5596415 0.84 SCN9A (0.37) SCN9ASCDOPRM1OPRD1OPRK1
SCHEMBL5596784 0.81 C5AR1 (0.38) SCDOPRM1OPRD1OPRK1OPRL1
SCHEMBL5596359 0.80 GRM5 (0.38) SCN9A
SCHEMBL5596798 0.79 HTR2C (0.46) HTR2CHTR2B
SCHEMBL5597032 0.78 GRIN2B (0.41)

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 4850/4885OPRM1 691/4885

“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.