SCHEMBL18502849

SCHEMBL18502849

CN[C@H]1CC[C@H](N2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.34
PDE7A Q13946 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
RORC P51449 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
SCHEMBL17207593 1.00 IRAK4 (0.44) IRAK4SMN1; SMN2PDE7AOPRM1OPRD1
SCHEMBL12551173 0.83 SMN1; SMN2 (0.43) IRAK4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL12793873 0.81 POLB (0.34) PDE7A
SCHEMBL15685757 0.81 POLB (0.34) PDE7A
SCHEMBL12793878 0.81 POLB (0.34) PDE7A
SCHEMBL1286689 0.78 KDM4E (0.43) IRAK4SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL12731382 0.78 IRAK4 (0.36) IRAK4PDE7A
SCHEMBL15685545 0.78 IRAK4 (0.36) IRAK4PDE7A
SCHEMBL131335 0.78 IRAK4 (0.36) IRAK4PDE7A
SCHEMBL15014627 0.78 KDM4E (0.43) IRAK4SMN1; SMN2OPRM1OPRD1OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 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 (3 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 IRAK4 3535/4885SMN1; SMN2 4354/4885PDE7A 871/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 IRAK4 3549/4885SMN1; SMN2 4406/4885PDE7A 709/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 IRAK4 3535/4885SMN1; SMN2 4354/4885PDE7A 871/4885

“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.