SCHEMBL872347

SCHEMBL872347

O[C@H]1C[C@H](c2ccon2)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.33
CHRNA4 P43681 1/20 0.31
EPHX2 P34913 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
SCHEMBL872346 1.00 CYP17A1 (0.33) CYP17A1CHRNA4EPHX2
SCHEMBL110926 0.78
SCHEMBL17675557 0.74 EIF2AK4 (0.34)
SCHEMBL8060559 0.72 L3MBTL1 (0.36)
Formic Acid SCHEMBL28961942 0.72 CHRNA4 (0.31) CHRNA4
SCHEMBL871800 0.71 NPC1 (0.41)
SCHEMBL16992452 0.69 SLC18A3 (0.41)
SCHEMBL21162011 0.69 KDM1A (0.31)
Hydrochloric Acid SCHEMBL21079740 0.68 KDM1A (0.30)
Hydrochloric Acid SCHEMBL21079742 0.68 KDM1A (0.30)

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-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2013-08-29 US disclosed
US-8420629-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2013-04-16 US disclosed
US-8158616-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2012-04-17 US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 US disclosed
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2009-09-17 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-20130225556-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 CYP17A1 1755/4885CHRNA4 4245/4885EPHX2 2996/4885
US-20090233903-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 CYP17A1 1755/4885CHRNA4 4245/4885EPHX2 2996/4885
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 CYP17A1 1755/4885CHRNA4 4245/4885EPHX2 2996/4885

“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.