SCHEMBL2540468

SCHEMBL2540468

CC12CCCCC1(C)C(=O)N(CC1CCCCC1CN1CCN(c3nsc4ccccc34)CC1)C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.67
ADRA2C P18825 2/20 0.67
HTR2A P28223 2/20 0.67
HTR2B P41595 2/20 0.67
CHRM2 P08172 2/20 0.67
HTR1A P08908 2/20 0.67
ADRA2A P08913 2/20 0.67
DRD1 P21728 2/20 0.67
TBXA2R P21731 2/20 0.67
SLC6A2 P23975 2/20 0.67
ADRA1A P35348 2/20 0.67
DRD3 P35462 2/20 0.67
SLC6A3 Q01959 2/20 0.67
KCNH2 Q12809 2/20 0.67
ABCB11 O95342 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
ADRA2B P18089 1/20 0.67
ACHE P22303 1/20 0.67
PDE4A P27815 1/20 0.67
HTR2C P28335 1/20 0.67

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
SCHEMBL2547143 0.86 DRD2 (0.68) DRD2ADRA2CHTR2AHTR2BCHRM2
SCHEMBL2546352 0.85 DRD2 (0.67) DRD2ADRA2CHTR2AHTR2BCHRM2
SCHEMBL2547414 0.83 DRD2 (0.79) DRD2ADRA2CHTR2AHTR2BCHRM2
SCHEMBL924982 0.83 DRD2 (0.72) DRD2ADRA2CHTR2AHTR2BCHRM2
SCHEMBL2540306 0.83 DRD2 (0.72) DRD2ADRA2CHTR2AHTR2BCHRM2
SCHEMBL12653613 0.83 DRD2 (0.75) DRD2ADRA2CHTR2AHTR2BCHRM2
SCHEMBL2544760 0.82 DRD2 (0.77) DRD2ADRA2CHTR2AHTR2BCHRM2
SCHEMBL15828202 0.82 HTR2A (0.67) DRD2ADRA2CHTR2AHTR2BCHRM2
SCHEMBL2541941 0.82 DRD2 (0.70) DRD2ADRA2CHTR2AHTR2BCHRM2
SCHEMBL2543841 0.82 DRD2 (0.93) DRD2ADRA2CHTR2AHTR2BCHRM2

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 9 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-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 (4 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 3458/4885ADRA2C 2919/4885HTR2A 4348/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 DRD2 3458/4885ADRA2C 2919/4885HTR2A 4348/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 DRD2 4460/4885ADRA2C 3690/4885HTR2A 4581/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 DRD2 4238/4885ADRA2C 3132/4885HTR2A 4603/4885

“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.