SCHEMBL4364569

SCHEMBL4364569

Cc1nccc(N2CCC(CC(=O)OC(=O)C(F)(F)F)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.41
F10 P00742 3/20 0.41
FFAR4 Q5NUL3 1/20 0.39
HRH4 Q9H3N8 9/20 0.39
HRH3 Q9Y5N1 8/20 0.39
DGAT1 O75907 1/20 0.38
MAP4K4 O95819 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
SORD Q00796 1/20 0.36

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
SCHEMBL4365334 0.85 CHRM4 (0.48) GPBAR1FFAR4HRH3
Trifluoroacetic Acid SCHEMBL1026901 0.83 FFAR4 (0.51) LSSFFAR4HRH4HRH3
SCHEMBL4354310 0.81 MEN1 (0.40) DGAT1
SCHEMBL1024330 0.81 ALDH1A1 (0.52) HRH3GPR119
SCHEMBL1025550 0.80 FFAR1 (0.44) FFAR4HRH3DGAT1CKS1BSKP1
SCHEMBL13622645 0.80 LSS (0.49) LSSGPBAR1F10FFAR4DGAT1
SCHEMBL1026902 0.80 HRH3 (0.41) LSSGPBAR1HRH4HRH3GPR119
SCHEMBL1024883 0.79 HTR3E (0.48) FFAR4HRH3DGAT1CKS1BSKP1
SCHEMBL1023389 0.79 KDM4E (0.50) GPR119
Acetic Acid SCHEMBL1026900 0.79 HRH3 (0.43) LSSHRH4HRH3GPR119

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 LSS 2739/4885GPBAR1 2143/4885F10 3328/4885

“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.