SCHEMBL2544048

SCHEMBL2544048

O=C1C2CCCCC2C(=O)N1CC1C2C=CC(O2)C1CN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.66
CHRM2 P08172 2/20 0.66
ADRA2A P08913 2/20 0.66
DRD1 P21728 2/20 0.66
TBXA2R P21731 2/20 0.66
SLC6A2 P23975 2/20 0.66
ADRA1A P35348 2/20 0.66
DRD3 P35462 2/20 0.66
SLC6A3 Q01959 2/20 0.66
KCNH2 Q12809 2/20 0.66
LMNA P02545 1/20 0.66
CHRM1 P11229 1/20 0.66
SLC6A4 P31645 1/20 0.66
OPRM1 P35372 1/20 0.66
DRD2 P14416 5/20 0.58
HTR2A P28223 5/20 0.58
HTR7 P34969 3/20 0.58
ADRA2C P18825 2/20 0.58
HTR2B P41595 2/20 0.58
ABCB11 O95342 1/20 0.58

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
SCHEMBL2539521 0.88 DRD2 (0.72) HTR1ACHRM2ADRA2ADRD1TBXA2R
SCHEMBL2544235 0.87 DRD2 (0.71) HTR1ACHRM2ADRA2ADRD1TBXA2R
SCHEMBL2547414 0.84 DRD2 (0.79) HTR1ACHRM2ADRA2ADRD1TBXA2R
SCHEMBL2544760 0.84 DRD2 (0.77) HTR1ACHRM2ADRA2ADRD1TBXA2R
SCHEMBL2548923 0.82 HTR1A (0.69) HTR1ACHRM2ADRA2ADRD1TBXA2R
Perospirone SCHEMBL30061058 0.79 HTR1A (1.00) HTR1ACHRM2ADRA2ADRD1TBXA2R
Perospirone SCHEMBL120579 0.79 HTR1A (1.00) HTR1ACHRM2ADRA2ADRD1TBXA2R
Perospirone SCHEMBL6691734 0.79 HTR1A (1.00) HTR1ACHRM2ADRA2ADRD1TBXA2R
Perospirone SCHEMBL28506465 0.79 HTR1A (0.98) HTR1ACHRM2ADRA2ADRD1TBXA2R
Perospirone SCHEMBL1155757 0.79 HTR1A (0.98) HTR1ACHRM2ADRA2ADRD1TBXA2R

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 HTR1A 4433/4885CHRM2 2469/4885ADRA2A 2861/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 HTR1A 4680/4885CHRM2 3119/4885ADRA2A 3828/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 HTR1A 4433/4885CHRM2 2469/4885ADRA2A 2861/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 HTR1A 4680/4885CHRM2 3119/4885ADRA2A 3828/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 HTR1A 4599/4885CHRM2 3458/4885ADRA2A 3361/4885

“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.