SCHEMBL3750757

SCHEMBL3750757

CC(C)(C)OC(=O)N[C@H]1CC(CN)=CC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
DPP4 P27487 3/20 0.33
EPHX2 P34913 1/20 0.32
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
DPP7 Q9UHL4 1/20 0.31
RORC P51449 2/20 0.31
MAP3K5 Q99683 2/20 0.31
GAA P10253 1/20 0.30
SYK P43405 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL3750760 1.00 KDM1A (0.36) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL3750755 1.00 KDM1A (0.36) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL3749956 0.90 KDM1A (0.37) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL3749962 0.90 KDM1A (0.37) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL3749958 0.90 KDM1A (0.37) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL3744124 0.83 KDM1A (0.37) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL3752901 0.83 KDM1A (0.37) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL3745175 0.83 KDM1A (0.37) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL3752657 0.82 KDM1A (0.36) KDM1AMAOBMAOANFKB1NFKB2
SCHEMBL3744702 0.82 KDM1A (0.36) KDM1AMAOBMAOANFKB1NFKB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 KDM1A 2597/4885MAOB 3481/4885MAOA 3454/4885

“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.