SCHEMBL4355886

SCHEMBL4355886

N#Cc1ccccc1N1CCC(CC(=O)OC(=O)C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.48
FFAR4 Q5NUL3 4/20 0.46
FFAR1 O14842 1/20 0.46
C5AR1 P21730 1/20 0.41
DRD4 P21917 4/20 0.41
DRD2 P14416 3/20 0.41
GRM5 P41594 1/20 0.41
CYP3A4 P08684 1/20 0.39
DRD3 P35462 2/20 0.38
AR P10275 1/20 0.38
ADAM17 P78536 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4357617 0.86 FFAR4 (0.48) CHRM4FFAR4FFAR1
SCHEMBL1024488 0.85 KDM4E (0.53) CHRM4FFAR4FFAR1DRD2
SCHEMBL1026537 0.84 GAA (0.41) CHRM4FFAR4FFAR1
SCHEMBL1025401 0.84 GAA (0.56) CHRM4FFAR4FFAR1DRD3
SCHEMBL4359206 0.84 DPP4 (0.43) CHRM4FFAR4FFAR1C5AR1
SCHEMBL1023731 0.84 KDM4E (0.55) DRD2
Trifluoroacetic Acid SCHEMBL1024810 0.82 FFAR4 (0.55) CHRM4FFAR4FFAR1C5AR1DRD4
SCHEMBL1022983 0.82 GRM2 (0.44) FFAR4DRD4DRD2DRD3THRB
SCHEMBL1024922 0.81 CHRM2 (0.46) CHRM4FFAR4FFAR1
SCHEMBL4364982 0.81 CHRM4 (0.46) CHRM4FFAR4CYP3A4

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 2075/4885FFAR1 1611/4885

“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.