SCHEMBL4328443

SCHEMBL4328443

CN(C)C[C@@H]1CCN(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.37
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
OPRK1 P41145 2/20 0.35
OPRD1 P41143 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL20702384 1.00 TACR3 (0.37) TACR3DPP8DPP7OPRK1OPRD1
SCHEMBL20702387 1.00 TACR3 (0.37) TACR3DPP8DPP7OPRK1OPRD1
SCHEMBL4330601 0.91 ALDH1A1 (0.37) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL5711090 0.91 ALDH1A1 (0.37) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL4327014 0.91 ALDH1A1 (0.37) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL3552649 0.88 LIMK2 (0.35) MAPTALDH1A1
SCHEMBL3077368 0.86 ARG1 (0.33) TACR3OPRK1OPRD1ARG1ARG2
SCHEMBL22183226 0.85 NR1D1 (0.40)
SCHEMBL21569732 0.85 NR1D1 (0.40)
SCHEMBL29134282 0.84 DPP8 (0.36) TACR3DPP8DPP7HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP claimed
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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 (2 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 TACR3 1064/4885DPP8 3109/4885DPP7 3137/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF TACR3 1198/4885DPP8 3266/4885DPP7 3327/4885

“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.