SCHEMBL4328286

SCHEMBL4328286

CN(C)CCN1CCCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP2C19 P33261 1/20 0.52
TMEM97 Q5BJF2 8/20 0.50
SIGMAR1 Q99720 8/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 1/20 0.49
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
HTT P42858 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ENPP2 Q13822 1/20 0.46

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
SCHEMBL7828734 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL15688093 0.85 TMEM97 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL16611411 0.84 MEN1 (0.69) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL24200046 0.83 NPSR1 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5109854 0.83 MEN1 (0.71) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25977461 0.82 SIGMAR1 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL24091701 0.82 TMEM97 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL29864758 0.81 MEN1 (0.69) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL92564 0.80 MEN1 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1000788 0.80 MEN1 (0.71) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 6 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 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 SMN1; SMN2 4808/4885NPC1 3537/4885RAB9A 635/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF SMN1; SMN2 4819/4885NPC1 3454/4885RAB9A 481/4885

“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.