SCHEMBL8222385

SCHEMBL8222385

O=C(N1C[C@@H]2CN[C@@H]2C1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
CHRNA4 P43681 10/20 0.33
CHRNB2 P17787 9/20 0.33
CHRNB4 P30926 9/20 0.33
CHRNA3 P32297 9/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CHRNA7 P36544 6/20 0.33
EPHX1 P07099 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
SCHEMBL3336079 0.84 EPHX1 (0.36) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12065376 0.82 SCN9A (0.37) SCN9ACHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL13871999 0.80 MBTD1 (0.40) SCN9AEPHX1
SCHEMBL28672272 0.79 CHRNA4 (0.55) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22248806 0.79 CHRNA4 (0.55) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL22235809 0.77 CHRNA4 (0.53) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL22235812 0.77 CHRNA4 (0.53) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2835362 0.76 CHRNB2 (0.38) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3291228 0.76 CHRNB2 (0.38) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3570524 0.76 CHRNB2 (0.38) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
US-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 US disclosed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 US disclosed
WO-2008025735-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO 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-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS OXTR, AVPR2, AVPR1B SCN9A 1914/4885CHRNA4 867/4885CHRNB2 693/4885

“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.