SCHEMBL13622681

SCHEMBL13622681

Cc1cccc(N2CCC(CC(=O)O)CC2)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 14/20 0.54
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GRM2 Q14416 1/20 0.40
CHRM4 P08173 1/20 0.40
KHK P50053 1/20 0.40

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 SCHEMBL1026535 0.93 FFAR4 (0.52) FFAR4GAAKDM4EKHK
SCHEMBL13622662 0.85 GAA (0.67) FFAR4GAAKDM4EGRM2CHRM4
SCHEMBL13622686 0.85 KDM4E (0.62) FFAR4GAAKDM4EGRM2
SCHEMBL13622683 0.84 GRM2 (0.47) FFAR4GAAGRM2
SCHEMBL3436337 0.83 FFAR4 (0.54) FFAR4
SCHEMBL13622678 0.82 KHK (0.48) FFAR4GAAKDM4EGRM2KHK
SCHEMBL1026537 0.81 GAA (0.41) FFAR4GAACYP1A2CYP2C19KDM4E
SCHEMBL13669870 0.81 FFAR4 (0.47) FFAR4
SCHEMBL13622664 0.80 FFAR4 (0.56) FFAR4CHRM4
Trifluoroacetic Acid SCHEMBL1024487 0.80 KDM4E (0.56) FFAR4GAAKDM4EGRM2

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 4 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

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 FFAR4 2075/4885GAA 2377/4885CYP1A2 3183/4885

“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.