SCHEMBL6470735

SCHEMBL6470735

CC(CCc1ccc(C(N)=O)nc1)NCc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.43
EPHX2 P34913 5/20 0.42
PPARG P37231 3/20 0.42
DPP4 P27487 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR3C2 P08235 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
SCD O00767 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ALOX5 P09917 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
SCHEMBL6469199 0.86 DPP4 (0.49) VNN1DPP4KMT2AOPRM1OPRD1
SCHEMBL5042774 0.84 TMEM97 (0.57) VNN1DPP4KMT2AHDAC3HDAC1
SCHEMBL6470737 0.84 EGFR (0.43) EPHX2PPARGKMT2AHDAC3HDAC1
SCHEMBL5131614 0.83 OPRK1 (0.53) VNN1DPP4KMT2AOPRM1OPRD1
SCHEMBL6468961 0.82 VNN1 (0.53) VNN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL5037246 0.81 DPP4 (0.43) VNN1DPP4KMT2AOPRM1OPRD1
SCHEMBL6471110 0.80 DPP4 (0.53) VNN1DPP4OPRM1OPRD1OPRK1
SCHEMBL6468178 0.79 DPP4 (0.47) VNN1DPP4HDAC3HDAC1HDAC2
SCHEMBL5133518 0.78 DPP4 (0.44) VNN1DPP4KMT2AOPRM1OPRD1
SCHEMBL6469026 0.78 DPP4 (0.53) VNN1DPP4OPRM1OPRD1OPRK1

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA VNN1 3874/4885EPHX2 2162/4885PPARG 4389/4885

“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.