SCHEMBL2544274

SCHEMBL2544274

c1ccc2cn(N3CCN(c4ccc5occc5c4)CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.42
MMP2 P08253 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
HTR3A P46098 2/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR5A P47898 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
AKR1C3 P42330 1/20 0.36
DYRK1A Q13627 1/20 0.34
CYP2A6 P11509 2/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL15515355 0.77 PHGDH (0.47) PHGDHMMP2ADAMTS5DRD2DRD3
SCHEMBL1602312 0.76 TERT (0.47) PHGDHMMP2ADAMTS5HTR3ADRD2
SCHEMBL1601529 0.74 MAPT (0.50) PHGDHDRD2DRD3KCNH2AKR1C3
SCHEMBL29509780 0.73 DYRK1A (0.58) PHGDHHTR3ASIGMAR1HTR3EHTR3B
SCHEMBL2548093 0.73 DYRK1A (0.58) PHGDHHTR3ASIGMAR1HTR3EHTR3B
SCHEMBL17543405 0.72 PHGDH (0.44) PHGDHMMP2ADAMTS5HTR3ADRD2
SCHEMBL2539341 0.71 HTR1A (0.53) DRD2
SCHEMBL2548272 0.71 ALDH1A1 (0.54) HTR3AKCNH2SIGMAR1HTR3EHTR3B
SCHEMBL17543425 0.70 PHGDH (0.45) PHGDHMMP2ADAMTS5HTR3ADRD2
SCHEMBL17543417 0.69 LGMN (0.49) PHGDHMMP2ADAMTS5DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563790-B1 A PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-09-14 EP disclosed
US-9309255-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-04-12 US disclosed
US-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO., LTD 2015-03-26 US disclosed
US-8921551-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-12-30 US disclosed
EP-2563791-B1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2014-12-24 EP disclosed
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-09-11 US disclosed
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8586737-B2 Process of a quaternary ammonium salt using phosphate DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-11-19 US disclosed
EP-2563790-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-03-06 EP disclosed
EP-2563791-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-03-06 EP disclosed
WO-2011136384-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-03 WO disclosed
WO-2011136383-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-03 WO disclosed
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT DAINIPPON SUMITOMO PHARMA CO, LTD. (JP) 2011-10-27 US disclosed
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-10-27 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-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 PHGDH 2257/4885MMP2 4510/4885ADAMTS5 4436/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 PHGDH 765/4885MMP2 4399/4885ADAMTS5 4294/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 PHGDH 2257/4885MMP2 4510/4885ADAMTS5 4436/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 PHGDH 765/4885MMP2 4399/4885ADAMTS5 4294/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 PHGDH 1168/4885MMP2 4514/4885ADAMTS5 4192/4885

“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.