SCHEMBL4357935

SCHEMBL4357935

O=C(CC1CCN(c2ccnc(F)c2)CC1)OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.40
FFAR4 Q5NUL3 13/20 0.38
DEGS1 O15121 1/20 0.36
USP30 Q70CQ3 2/20 0.36
ACACB O00763 1/20 0.36
CDK4 P11802 1/20 0.35

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
SCHEMBL1025273 0.85 ITGB3 (0.45)
Trifluoroacetic Acid SCHEMBL1026518 0.83 FFAR4 (0.49) CHRM4FFAR4
SCHEMBL13622700 0.81 FFAR4 (0.48) CHRM4FFAR4
SCHEMBL1024922 0.80 CHRM2 (0.46) CHRM4FFAR4
SCHEMBL4365334 0.79 CHRM4 (0.48) CHRM4FFAR4
SCHEMBL1026507 0.79 KDM4E (0.47) CHRM4
SCHEMBL1026519 0.78 MAPT (0.40) CHRM4ACACB
SCHEMBL1024330 0.77 ALDH1A1 (0.52) USP30
SCHEMBL4352889 0.77 FAAH (0.37) FFAR4
SCHEMBL4364569 0.77 LSS (0.43) FFAR4

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 (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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CHRM4 4834/4885FFAR4 2075/4885DEGS1 1905/4885

“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.