SCHEMBL2540344

SCHEMBL2540344

Fc1ccc2c(N3CC[N+]4(CC3)CC3CCCCC3C4)noc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
HTR2A P28223 7/20 0.44
HTR1A P08908 3/20 0.44
ACHE P22303 2/20 0.43
CHRNA7 P36544 1/20 0.42
HTR3A P46098 1/20 0.42
HTR7 P34969 2/20 0.41
KCNH2 Q12809 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL25974816 0.79 ACHE (0.56) DRD2HTR2AHTR1AACHEKCNH2
SCHEMBL531012 0.78 ACHE (0.52) DRD2HTR2AHTR1AACHECHRNA7
Hydrochloric Acid SCHEMBL14128737 0.77 ACHE (0.51) DRD2HTR2AHTR1AACHECHRNA7
SCHEMBL6218345 0.73 DRD2 (0.47) DRD2HTR2AHTR1AACHECHRNA7
Hydrochloric Acid SCHEMBL6248461 0.72 DRD2 (0.46) DRD2HTR2AHTR1AACHECHRNA7
SCHEMBL13448255 0.70 HTR2A (0.60) DRD2HTR2AHTR1AACHEHTR7
SCHEMBL22302778 0.68 DRD2 (0.63) DRD2HTR2AHTR1AACHEHTR7
SCHEMBL9681618 0.68 HTR2A (0.48) DRD2HTR2AHTR1AACHEHTR7
SCHEMBL13013944 0.67 HTR2A (0.56) DRD2HTR2AHTR1AACHEHTR7
SCHEMBL14748263 0.67 HTR2A (0.56) DRD2HTR2AHTR1AACHEHTR7

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 3458/4885HTR2A 4348/4885HTR1A 4433/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 DRD2 4460/4885HTR2A 4581/4885HTR1A 4680/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 DRD2 3458/4885HTR2A 4348/4885HTR1A 4433/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 DRD2 4460/4885HTR2A 4581/4885HTR1A 4680/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 DRD2 4238/4885HTR2A 4603/4885HTR1A 4599/4885

“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.