SCHEMBL1798336

SCHEMBL1798336

CCCN(CCC)CCCCN1CCc2cc(CO)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
ABCB1 P08183 1/20 0.44
MOGAT2 Q3SYC2 1/20 0.41
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL1637232 0.81 DRD3 (0.77) DRD2DRD3ABCB1HTR7HTR1A
SCHEMBL1795403 0.80 DRD3 (0.49) DRD2DRD3ABCB1MOGAT2HTR7
SCHEMBL1797089 0.79 ACACB (0.49) DRD2DRD3ABCB1HTR7HTR1A
SCHEMBL1794475 0.77 CXCR4 (0.42) DRD2DRD3ABCB1MOGAT2HRH3
SCHEMBL1638176 0.77 CXCR4 (0.44) DRD2DRD3ABCB1MOGAT2HRH3
SCHEMBL1958049 0.75 DRD2 (0.44) DRD2DRD3HTR2AHRH3
SCHEMBL10231923 0.74 HTR7 (0.42) DRD2DRD3MOGAT2HTR7HTR1A
SCHEMBL12552340 0.74 CXCR4 (0.51) DRD2DRD3MOGAT2
SCHEMBL22860596 0.74 DRD2 (0.49) DRD2DRD3ABCB1MOGAT2HTR7
SCHEMBL22543810 0.72 DRD2 (0.47) DRD2DRD3ABCB1HRH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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 (2 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 DRD2 1937/4885DRD3 1974/4885ABCB1 437/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 DRD2 1809/4885DRD3 1850/4885ABCB1 362/4885

“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.