SCHEMBL1154863

SCHEMBL1154863

COC(=O)C1CC2CC(O)CC(C2)C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.62
CHRNA4 P43681 3/20 0.62
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA7 P36544 1/20 0.48
BRD4 O60885 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12861134 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL398333 0.86
SCHEMBL398511 0.86
SCHEMBL398332 0.86
SCHEMBL1650264 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2670823 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL637612 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5831543 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6371293 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5770258 0.84 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966200-B1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC (JP) 2014-10-29 EP disclosed
US-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2011-02-17 US disclosed
US-7879844-B2 useful for treating or preventing diseases caused by undesirable cytokine signal transmission such as autoimmune diseases, inflammatory diseases, allergies, transplant rejection, multiple sclerosis, arthritis, psoriasis, asthma, dermatitis, Alzheimer's disease, atherosclerosis, cancer and leukemia ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-29 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-20110039822-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, JAK2 CHRNB2 3699/4885CHRNA4 2490/4885CHRNB4 3317/4885
US-20090270376-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK1, IRAK3 CHRNB2 3943/4885CHRNA4 3374/4885CHRNB4 3827/4885

“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.