SCHEMBL3552647

SCHEMBL3552647

CC(C)(N)C1CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM2 Q14416 1/20 0.34
EPHX2 P34913 1/20 0.34
DPP4 P27487 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LYPLA1 O75608 1/20 0.31
LYPLA2 O95372 1/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.31
ACHE P22303 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
SCHEMBL5765556 0.83 CYP2D6 (0.55) CYP2D6KCNH2HRH3LMNAALDH1A1
SCHEMBL13548627 0.82 CYP2D6 (0.39) CYP2D6KCNH2HRH3LMNAALDH1A1
Hydrochloric Acid SCHEMBL29034671 0.81 CYP2D6 (0.53) CYP2D6KCNH2HRH3LMNAALDH1A1
SCHEMBL1049997 0.79 CYP2D6 (0.40) CYP2D6KCNH2HRH3LMNAALDH1A1
SCHEMBL3077367 0.78 GRM2 (0.36) ALDH1A1TDP1GRM2
SCHEMBL23089707 0.77 DPP4 (0.36) LMNAALDH1A1DPP4SMN1; SMN2
SCHEMBL6402693 0.77 HPGD (0.55) ALDH1A1DPP4SMN1; SMN2HPGD
SCHEMBL4476428 0.76 CYP2D6 (0.38) CYP2D6KCNH2HRH3LMNAALDH1A1
SCHEMBL4471405 0.76 CYP2D6 (0.38) CYP2D6KCNH2HRH3LMNAALDH1A1
SCHEMBL14344827 0.75 CPN1 (0.38) CYP2D6KCNH2HRH3ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2021-12-09 US disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO disclosed
EP-3331869-A1 MUSCARINIC AGONISTS Heptares Therapeutics Limited (GB) 2018-06-13 EP disclosed
WO-2017021730-A1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2017-02-09 WO disclosed
EP-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 EP disclosed
US-8288538-B2 Pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-10-16 US disclosed
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP 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-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) MATSUSHIMA TOMOHIRO 2010-03-25 US 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-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 US disclosed
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP 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 (5 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 CYP2D6 447/4885KCNH2 2966/4885HRH3 59/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF CYP2D6 755/4885KCNH2 2799/4885HRH3 52/4885
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PTP4A1, PPP5C CYP2D6 3360/4885KCNH2 4750/4885HRH3 4132/4885
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 CYP2D6 1131/4885KCNH2 2490/4885HRH3 14/4885
US-20100075944-A1 NOVEL PYRIDINE DERIVATIVES AND PYRIMIDINE DERIVATIVES (3) HGF, MET, HDGF CYP2D6 1066/4885KCNH2 2255/4885HRH3 10/4885

“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.