SCHEMBL4324356

SCHEMBL4324356

CN1CC(N2CCN(C(=O)O)CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HRH3 Q9Y5N1 3/20 0.36
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 4/20 0.33
DPP4 P27487 1/20 0.32
PPP5C P53041 1/20 0.32

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
SCHEMBL1464487 0.82 L3MBTL3 (0.55) L3MBTL3L3MBTL1CYP1A2TDP1ALDH1A1
SCHEMBL24185469 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL26511416 0.79 CHRNB2 (0.43) L3MBTL3L3MBTL1ALDH1A1KDM4E
SCHEMBL24127421 0.79 MAPT (0.44) L3MBTL3L3MBTL1ALDH1A1HRH3HSD17B10
SCHEMBL65329 0.78 HRH3 (0.47) L3MBTL3L3MBTL1ALDH1A1HRH3POLB
SCHEMBL2856149 0.78 L3MBTL3 (0.51) L3MBTL3L3MBTL1CYP1A2TDP1ALDH1A1
SCHEMBL28352306 0.78 CYP1A2 (0.40) L3MBTL3L3MBTL1CYP1A2TDP1POLB
SCHEMBL20793139 0.76 CYP1A2 (0.54) L3MBTL3L3MBTL1CYP1A2TDP1HRH3
SCHEMBL4471423 0.76 L3MBTL3 (0.57) L3MBTL3L3MBTL1ALDH1A1HRH3POLB
SCHEMBL7008496 0.75 POLB (0.33) L3MBTL3L3MBTL1ALDH1A1HRH3POLB

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 10 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
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 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
CN-1906167-A Novel pyridine derivative and pyrimidine derivative (2) EISAI CO LTD (JP) 2007-01-31 CN disclosed
CN-1906166-A Novel pyridine derivative and pyrimidine derivative (1) EISAI CO LTD (JP) 2007-01-31 CN 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 L3MBTL3 1125/4885L3MBTL1 1054/4885CYP1A2 2171/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF L3MBTL3 1402/4885L3MBTL1 1338/4885CYP1A2 2802/4885

“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.