SCHEMBL2544271

SCHEMBL2544271

c1cc2cc(N3CC[N+]4(CC3)CC3CCCCC3C4)ccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.38
CHRNA7 P36544 5/20 0.35
HTR3A P46098 4/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CA12 O43570 1/20 0.34
CHRM1 P11229 1/20 0.34
MMP2 P08253 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 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
SCHEMBL15515355 0.77 PHGDH (0.47) PHGDHMMP2ADAMTS5DRD2DRD3
SCHEMBL1602312 0.76 TERT (0.47) PHGDHCHRNA7HTR3AMMP2ADAMTS5
SCHEMBL2539340 0.72
SCHEMBL1601529 0.71 MAPT (0.50) PHGDHDRD2DRD3KCNH2PIK3CD
SCHEMBL2548270 0.70 HTR3E (0.57) HTR3AHTR3EHTR3BCYP2D6HTR3D
SCHEMBL2548093 0.70 DYRK1A (0.58) PHGDHHTR3AHTR3EHTR3BCYP2D6
SCHEMBL29509780 0.70 DYRK1A (0.58) PHGDHHTR3AHTR3EHTR3BCYP2D6
SCHEMBL17543405 0.69 PHGDH (0.44) PHGDHCHRNA7HTR3AHTR3EHTR3B
SCHEMBL22728523 0.67 BPTF (0.47) PHGDHCHRNA7CHRNB2CHRNA4DYRK1A
SCHEMBL17543425 0.67 PHGDH (0.45) PHGDHCHRNA7HTR3ACHRM1MMP2

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 2257/4885CHRNA7 1366/4885HTR3A 4562/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 PHGDH 765/4885CHRNA7 2745/4885HTR3A 4687/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 PHGDH 2257/4885CHRNA7 1366/4885HTR3A 4562/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 PHGDH 765/4885CHRNA7 2745/4885HTR3A 4687/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 PHGDH 1168/4885CHRNA7 2613/4885HTR3A 4648/4885

“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.