SCHEMBL2545280

SCHEMBL2545280

O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2ncccn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.66
HTR1A P08908 2/20 0.66
DRD4 P21917 1/20 0.66
ADRA2C P18825 2/20 0.61
HTR2A P28223 2/20 0.61
HTR2B P41595 2/20 0.61
ABCB11 O95342 1/20 0.61
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
ADRA2B P18089 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
ACHE P22303 1/20 0.61
SLC6A2 P23975 1/20 0.61
PDE4A P27815 1/20 0.61
HTR2C P28335 1/20 0.61
CCKAR P32238 1/20 0.61
HTR7 P34969 1/20 0.61
ADRA1A P35348 1/20 0.61

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
SCHEMBL2540314 0.88 DRD2 (0.63) DRD2HTR1ADRD4ADRA2CHTR2A
SCHEMBL2539519 0.85 DRD2 (0.50) DRD2HTR1ADRD4ADRA2CHTR2A
SCHEMBL2543849 0.82 DRD2 (0.55) DRD2HTR1ADRD4ADRA2CHTR2A
Tandospirone SCHEMBL4445506 0.80 DRD2 (1.00) DRD2HTR1ADRD4
Tandospirone SCHEMBL13532602 0.80 DRD2 (1.00) DRD2HTR1ADRD4
Tandospirone SCHEMBL49026 0.80 DRD2 (1.00) DRD2HTR1ADRD4
Tandospirone SCHEMBL22381099 0.80 DRD2 (1.00) DRD2HTR1ADRD4
Tandospirone SCHEMBL22693814 0.80 DRD2 (1.00) DRD2HTR1ADRD4
SCHEMBL2541954 0.79 DRD2 (0.58) DRD2HTR1ADRD4ADRA2CHTR2A
Tandospirone SCHEMBL16339864 0.79 DRD2 (1.00) DRD2HTR1ADRD4

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-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
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 DRD2 3458/4885HTR1A 4433/4885DRD4 2169/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 DRD2 4460/4885HTR1A 4680/4885DRD4 3313/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 DRD2 3458/4885HTR1A 4433/4885DRD4 2169/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 DRD2 4460/4885HTR1A 4680/4885DRD4 3313/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 DRD2 4238/4885HTR1A 4599/4885DRD4 2820/4885

“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.