SCHEMBL1795403

SCHEMBL1795403

CCCN(CCC)CCCCN1CCc2cc(C=O)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.49
DRD2 P14416 2/20 0.49
ABCB1 P08183 1/20 0.43
HTR7 P34969 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MOGAT2 Q3SYC2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38

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 0.80 DRD3 (0.77) DRD3DRD2ABCB1HTR7HTR1A
SCHEMBL1798336 0.80 DRD2 (0.50) DRD3DRD2ABCB1HTR7HRH3
SCHEMBL15653402 0.78 HRH3 (0.47) DRD3DRD2HRH3MEN1ALDH1A1
SCHEMBL1797089 0.78 ACACB (0.49) DRD3DRD2ABCB1HTR7HTR1A
SCHEMBL15652357 0.73 HRH3 (0.47) DRD3DRD2HRH3MEN1ALDH1A1
SCHEMBL1794475 0.72 CXCR4 (0.42) DRD3DRD2ABCB1HRH3MOGAT2
SCHEMBL1638176 0.72 CXCR4 (0.44) DRD3DRD2ABCB1HRH3MOGAT2
SCHEMBL14398443 0.71 MAOB (0.53) DRD3DRD2MEN1ALDH1A1GAA
SCHEMBL19609087 0.70 TNF (0.55) DRD3DRD2ABCB1HTR7HRH3
SCHEMBL1794340 0.70 CXCR4 (0.54) DRD3DRD2

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 4 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

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 DRD3 1974/4885DRD2 1937/4885ABCB1 437/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 DRD3 1850/4885DRD2 1809/4885ABCB1 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.