SCHEMBL4162896

SCHEMBL4162896

CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccc(Oc3ncccc3C#N)cc12)C(=O)N1CC(F)CC1C#N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SCN9A Q15858 2/20 0.41
DPP4 P27487 11/20 0.41
FAP Q12884 6/20 0.41
DPP7 Q9UHL4 6/20 0.40
DPP8 Q6V1X1 3/20 0.40
DPP9 Q86TI2 3/20 0.40
PREP P48147 1/20 0.38
TACR1 P25103 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4160587 0.92 CTSL (0.40) CTSLCTSSCTSKSCN9ATACR1
SCHEMBL4168944 0.85 DPP4 (0.57) DPP4FAPDPP7DPP8DPP9
SCHEMBL4168946 0.85 DPP4 (0.57) DPP4FAPDPP7DPP8DPP9
SCHEMBL4102277 0.84 SCN9A (0.55) CTSLCTSSCTSKSCN9ATACR1
SCHEMBL4119690 0.84 SCN9A (0.55) CTSLCTSSCTSKSCN9ATACR1
SCHEMBL4174694 0.84 CTSL (0.41) CTSLCTSSCTSKSCN9ATACR1
SCHEMBL4164936 0.83 CTSL (0.47) CTSLCTSSCTSKSCN9ADPP4
SCHEMBL4113611 0.83 MEN1 (0.37) DPP4FAPDPP7DPP8DPP9
SCHEMBL4158311 0.74 SCN9A (0.46) CTSLCTSSCTSKSCN9ADPP4
SCHEMBL4166330 0.74 CTSL (0.46) CTSLCTSSCTSKSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2009-06-11 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-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors DPP4, DPP3, DPP7 CTSL 394/4885CTSS 1084/4885CTSK 1113/4885

“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.