SCHEMBL6468178

SCHEMBL6468178

CC(CCc1ccc(C(N)=O)nc1)NCc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CHEK1 O14757 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDPK1 O15530 1/20 0.39
POLB P06746 1/20 0.39
VNN1 O95497 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
GRM2 Q14416 1/20 0.37

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 0.88 DPP4 (0.49) DPP4ATML3MBTL1POLBVNN1
SCHEMBL6471110 0.87 DPP4 (0.53) DPP4PDPK1VNN1GRM2
SCHEMBL6471055 0.84 MAOB (0.47) DPP4MAOBAURKARPS6KB1AURKB
SCHEMBL6468183 0.84 POLB (0.40) DPP4MAOBSMN1; SMN2CHEK1ATM
SCHEMBL6470735 0.79 VNN1 (0.43) DPP4HDAC3HDAC1HDAC2VNN1
SCHEMBL5131614 0.79 OPRK1 (0.53) DPP4SMN1; SMN2ATML3MBTL1VNN1
SCHEMBL5133518 0.78 DPP4 (0.44) DPP4L3MBTL1VNN1
SCHEMBL6469026 0.78 DPP4 (0.53) DPP4ATML3MBTL1POLBVNN1
SCHEMBL5140232 0.78 DPP4 (0.46) DPP4MAOBSMN1; SMN2CHEK1ATM
SCHEMBL5042774 0.78 TMEM97 (0.57) DPP4HDAC3HDAC1HDAC2VNN1

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 DPP4 3527/4885MAOB 50/4885SMN1; SMN2 106/4885

“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.