SCHEMBL2042886

SCHEMBL2042886

O=C1CC(C(F)(F)F)C[N]1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL1937068 0.62
SCHEMBL1008657 0.62
SCHEMBL2040544 0.62
SCHEMBL14551907 0.62 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL12326723 0.62 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL1936576 0.62
SCHEMBL1711546 0.62 MAPT (0.34) NOS3NOS1NOS2
SCHEMBL7832377 0.60 TSHR (0.36) NOS3NOS1NOS2
SCHEMBL29281259 0.59 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL1872409 0.57 MTNR1A (0.31)

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-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-08 US disclosed
EP-4143179-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2023-03-08 EP disclosed
WO-2021219849-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 WO disclosed
US-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests BASF SE (DE) 2012-11-15 US disclosed
WO-2011073444-A2 AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-06-23 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 (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-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests CRY1, PIR, DDT NOS3 541/4885NOS1 759/4885NOS2 492/4885
US-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS CCR6, CCR1, CCR3 NOS3 2784/4885NOS1 3392/4885NOS2 3100/4885

“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.