SCHEMBL17518802

SCHEMBL17518802

CC(=O)N1CCC(C(O)C(F)F)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.35
DPP7 Q9UHL4 3/20 0.35
PDE4B Q07343 1/20 0.35
EPHX2 P34913 5/20 0.34
EPHX1 P07099 1/20 0.34
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
CHRNB4 P30926 1/20 0.32
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15837592 0.77 PIK3CD (0.38) DPP4DPP7EPHX2EPHX1CPN1
SCHEMBL679537 0.77 PIK3CD (0.38) DPP4DPP7EPHX2EPHX1CPN1
SCHEMBL15837591 0.77 PIK3CD (0.38) DPP4DPP7EPHX2EPHX1CPN1
SCHEMBL19030414 0.76 CPN1 (0.34) DPP4DPP7CPN1CPB2
SCHEMBL17572000 0.75 EPHX2 (0.43) DPP4DPP7EPHX2EPHX1CPN1
SCHEMBL17518799 0.73 NCF1 (0.31)
SCHEMBL24449425 0.70 DPP4 (0.39) DPP4DPP7EPHX2EPHX1CPN1
SCHEMBL18711730 0.70 SPR (0.38) DPP4DPP7EPHX2EPHX1CPN1
SCHEMBL19030609 0.70 HPGD (0.50) DPP4EPHX1
SCHEMBL6277604 0.70

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-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI DPP4 2474/4885DPP7 2732/4885PDE4B 2528/4885

“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.