SCHEMBL9918353

SCHEMBL9918353

CC(C)C1C2CC3CC1CC(C#N)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SLC22A2 O15244 1/20 0.30
SLC47A1 Q96FL8 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
SCHEMBL12378023 0.79 HSD11B1 (0.34) HSD11B1
SCHEMBL328811 0.75 HSD11B1 (0.32) HSD11B1
SCHEMBL131063 0.75 GRIN2D (0.38) HSD11B1ALDH1A1MAPTSLC22A2SLC47A1
SCHEMBL9918346 0.72
SCHEMBL13126722 0.71 SLC22A2 (0.32) MAPTSLC22A2SLC47A1
SCHEMBL12308339 0.71 SLC22A2 (0.32) MAPTSLC22A2SLC47A1
SCHEMBL9920198 0.71 EPHX2 (0.40) HSD11B1SLC22A2SLC47A1
SCHEMBL16448448 0.71 SLC22A2 (0.32) MAPTSLC22A2SLC47A1
SCHEMBL13126723 0.71 SLC22A2 (0.32) MAPTSLC22A2SLC47A1
SCHEMBL25509293 0.71 EPHX2 (0.40) HSD11B1SLC22A2SLC47A1

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
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (2 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 HSD11B1 1810/4885ALDH1A1 1632/4885MAPT 4022/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HSD11B1 1216/4885ALDH1A1 1507/4885MAPT 4399/4885

“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.