SCHEMBL5452381

SCHEMBL5452381

CCC1=C(C(=O)OC(C)(C)C)C(c2ccc(C)cc2)C(C#N)=C(CC(C)(C)C)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
MAPT P10636 8/20 0.39
NPSR1 Q6W5P4 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
NR3C2 P08235 3/20 0.39
ALDH1A1 P00352 10/20 0.35
HSD17B10 Q99714 7/20 0.35
ALOX15 P16050 5/20 0.35
TSHR P16473 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL5451700 0.92 NR3C2 (0.39) KDM4EMAPTNPSR1CYP1A2CYP3A4
SCHEMBL4118573 0.91 ALDH1A1 (0.41) KDM4EMAPTNPSR1CYP1A2CYP3A4
SCHEMBL4124732 0.89 NR3C2 (0.47) KDM4EMAPTNPSR1CYP1A2CYP3A4
SCHEMBL5442885 0.89 NR3C2 (0.38) KDM4EMAPTNPSR1CYP1A2CYP3A4
SCHEMBL5454322 0.87 ALDH1A1 (0.38) KDM4EMAPTNPSR1CYP1A2CYP3A4
SCHEMBL5448920 0.87 KDM4E (0.38) KDM4EMAPTNPSR1CYP1A2CYP3A4
SCHEMBL5447730 0.86 KDM4E (0.49) KDM4EMAPTNPSR1CYP1A2CYP3A4
SCHEMBL5449319 0.86 NR3C2 (0.38) KDM4EMAPTNPSR1CYP1A2CYP3A4
SCHEMBL5455219 0.85 NR3C2 (0.42) KDM4EMAPTNPSR1CYP1A2CYP3A4
SCHEMBL5449799 0.82 NR3C2 (0.40) KDM4EMAPTNPSR1CYP1A2CYP3A4

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD KDM4E 569/4885MAPT 4676/4885NPSR1 1985/4885

“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.