SCHEMBL2545276

SCHEMBL2545276

COc1ccccc1N1CCN(CC2CCCCC2CN2C(=O)C3C4CCC(C4)C3C2=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.68
DRD2 P14416 4/20 0.68
HTR2A P28223 3/20 0.68
HTR7 P34969 2/20 0.68
HTR6 P50406 1/20 0.68
ADRA1A P35348 3/20 0.58
ADRA2C P18825 2/20 0.58
ABCB11 O95342 1/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADRA2B P18089 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
ACHE P22303 1/20 0.58
SLC6A2 P23975 1/20 0.58
PDE4A P27815 1/20 0.58
HTR2C P28335 1/20 0.58
CCKAR P32238 1/20 0.58
HRH1 P35367 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
SCHEMBL2544371 0.87 RAB9A (0.67) HTR1ADRD2HTR2AHTR7ADRA1A
SCHEMBL2545295 0.82 HTR1A (0.64) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2544244 0.82 HTR7 (0.98) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6111843 0.82 HTR1A (0.94) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL6112584 0.81 HTR1A (0.92) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2543849 0.79 DRD2 (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2543222 0.79 DRD2 (0.53) HTR1ADRD2HTR2AHTR7ADRA1A
SCHEMBL10034000 0.79 DRD2 (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2540314 0.78 DRD2 (0.63) HTR1ADRD2HTR2AHTR7ADRA1A
SCHEMBL2545280 0.76 DRD2 (0.66) HTR1ADRD2HTR2AHTR7ADRA1A

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 4433/4885DRD2 3458/4885HTR2A 4348/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 HTR1A 4680/4885DRD2 4460/4885HTR2A 4581/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 HTR1A 4433/4885DRD2 3458/4885HTR2A 4348/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 HTR1A 4680/4885DRD2 4460/4885HTR2A 4581/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 HTR1A 4599/4885DRD2 4238/4885HTR2A 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.