SCHEMBL3077367

SCHEMBL3077367

CC(C)(N)C1CN(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL19712361 0.81 CYP2D6 (0.36) GRM2ATM
SCHEMBL23089707 0.81 DPP4 (0.36) ALDH1A1
SCHEMBL571772 0.79 CES2 (0.36) ATMALDH1A1
SCHEMBL3552647 0.78 CYP2D6 (0.40) GRM2ALDH1A1TDP1
SCHEMBL28404119 0.77 GRM2 (0.32) GRM2ATM
SCHEMBL28405306 0.77 ATM (0.31) ATM
SCHEMBL5061941 0.74 NR1H2 (0.32)
SCHEMBL3310289 0.74 GRM2 (0.32) GRM2ATM
SCHEMBL28408901 0.71 RIPK1 (0.35)
SCHEMBL16338418 0.71 ATM (0.35) ATM

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-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 EP disclosed
EP-2058302-B1 METHOD FOR PRODUCING PHENOXYPYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-04-17 EP disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
US-7855290-B2 N-[4-({2-[({4-[2-(Dimethylamino)ethyl]piperazin-1-yl}carbonyl)amino]pyridin-4-yl}oxy)-2-fluorophenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; hepatocyte growth factor receptor (HGFR) inhibitors; antitumor, -carcinogenic, -metastasis agents EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-21 US disclosed
US-7790885-B2 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-07 US disclosed
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 US disclosed
EP-2058302-A1 METHOD FOR PRODUCING PHENOXYPYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-05-13 EP disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 US disclosed
US-20080214815-A1 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-04 US disclosed
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP 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 (3 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-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 GRM2 3034/4885ATM 3974/4885ALDH1A1 899/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF GRM2 3071/4885ATM 4008/4885ALDH1A1 887/4885
US-20080214815-A1 Process for preparing phenoxypyridine derivatives FIP1L1, SKP1, TET2 GRM2 2494/4885ATM 2274/4885ALDH1A1 2045/4885

“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.