SCHEMBL13622645

SCHEMBL13622645

Cc1nccc(N2CCC(CC(=O)O)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.49
FFAR4 Q5NUL3 10/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
HSD11B1 P28845 2/20 0.44
F10 P00742 3/20 0.44
DGAT1 O75907 1/20 0.42
MAP4K4 O95819 1/20 0.42
SORD Q00796 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL1026901 0.93 FFAR4 (0.51) LSSFFAR4
SCHEMBL7661376 0.82 LSS (0.55) LSSGPBAR1F10SORD
SCHEMBL13622619 0.81 FFAR4 (0.54) FFAR4GPBAR1
SCHEMBL4364569 0.80 LSS (0.43) LSSFFAR4GPBAR1F10DGAT1
SCHEMBL10324203 0.77 HSD11B1 (0.46) FFAR4HSD11B1DGAT1MAP4K4
SCHEMBL7660332 0.77 LSS (0.45) LSSGPBAR1F10MAP4K4SORD
SCHEMBL17637739 0.77 GPBAR1 (0.51) LSSGPBAR1
SCHEMBL22932938 0.76 OGA (0.52) LSSSORD
SCHEMBL13622621 0.76 ALDH1A1 (0.62)
SCHEMBL13622632 0.76 LMNA (0.47) FFAR4HSD11B1DGAT1

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
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
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK LSS 2739/4885FFAR4 2075/4885GPBAR1 2143/4885

“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.