SCHEMBL2544244

SCHEMBL2544244

COc1ccccc1N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3C2=O)CC1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.98
DRD2 P14416 7/20 0.98
HTR1A P08908 6/20 0.98
HTR2A P28223 5/20 0.98
HTR6 P50406 3/20 0.98
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
ADRA1A P35348 4/20 0.65
ADRA1D P25100 3/20 0.65
ADRA1B P35368 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
ALOX12 P18054 1/20 0.65
HIF1A Q16665 1/20 0.65
HSD17B10 Q99714 1/20 0.65
KDM4E B2RXH2 1/20 0.64

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
SCHEMBL6111843 0.98 HTR1A (0.94) HTR7DRD2HTR1AHTR2AHTR6
Hydrochloric Acid SCHEMBL6112584 0.97 HTR1A (0.92) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL10674383 0.87 HTR7 (0.75) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL10469632 0.86 HTR7 (0.74) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL10468417 0.85 HTR7 (0.73) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL2547292 0.84 DRD2 (0.72) HTR7DRD2HTR1AHTR2AHTR6
Hydrochloric Acid SCHEMBL10782024 0.83 DRD2 (0.70) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL6244716 0.83 DRD2 (0.72) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL4525951 0.83 HTR1A (0.69) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL2545276 0.82 HTR1A (0.68) HTR7DRD2HTR1AHTR2AHTR6

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 HTR7 3926/4885DRD2 3458/4885HTR1A 4433/4885
US-20110263847-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 HTR7 3926/4885DRD2 3458/4885HTR1A 4433/4885
US-20110263848-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 HTR7 4466/4885DRD2 4460/4885HTR1A 4680/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 HTR7 4314/4885DRD2 4238/4885HTR1A 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.