SCHEMBL2544284

SCHEMBL2544284

c1ccc2cc(N3CCN(n4cc5ccccc5c4)CC3)ncc2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.65
CXCR3 P49682 1/20 0.39
MAPT P10636 3/20 0.39
CCKAR P32238 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
PDPK1 O15530 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL23762131 0.80 HTR3A (0.72) HTR3ACXCR3MAPTCYP1A2CYP2A6
SCHEMBL605441 0.79 HTR3A (1.00) HTR3ACYP1A2HRH4ALDH1A1
SCHEMBL10832734 0.78 HTR3A (0.69) HTR3AMAPTALDH1A1HPGDRAB9A
SCHEMBL2543846 0.78 PLD1 (0.53) MAPTNPC1ALDH1A1HTTRAB9A
SCHEMBL10834346 0.78 HTR3A (0.69) HTR3AMAPTHRH4NPC1GAA
SCHEMBL2202877 0.77 HTR3A (0.68) HTR3ACXCR3MAPTCCKARCYP1A2
SCHEMBL1479055 0.76 HTR3A (0.66) HTR3ACYP1A2HRH4ALDH1A1NFKB1
SCHEMBL6888500 0.75 HTR3A (0.69) HTR3ACXCR3CYP1A2NPC1ALDH1A1
Hydrochloric Acid SCHEMBL1459700 0.74 HTR3A (0.64) HTR3ACYP1A2ALDH1A1HPGDHTT
SCHEMBL5236678 0.74 HTR3A (0.63) HTR3ACCKARALDH1A1HTT

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
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 HTR3A 4562/4885CXCR3 4500/4885MAPT 2417/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 HTR3A 4687/4885CXCR3 4149/4885MAPT 2969/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 HTR3A 4562/4885CXCR3 4500/4885MAPT 2417/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 HTR3A 4687/4885CXCR3 4149/4885MAPT 2969/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 HTR3A 4648/4885CXCR3 4125/4885MAPT 3084/4885

“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.