SCHEMBL4083042

SCHEMBL4083042

CNC(=O)c1cccc(C2CCN(CCCN)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.49
MLYCD O95822 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
HDAC1 Q13547 1/20 0.46
SCN9A Q15858 1/20 0.46
HTR1A P08908 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
DRD3 P35462 3/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43

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
SCHEMBL5619996 0.83 DRD2 (0.51) DRD2MLYCDSIGMAR1HDAC1SCN9A
SCHEMBL4096981 0.83 DRD2 (0.48) DRD2MLYCDSIGMAR1SCN9AHTR1A
SCHEMBL12049805 0.82 MLYCD (0.54) DRD2MLYCDHDAC1SCN9A
SCHEMBL4083055 0.79 DRD2 (0.68) DRD2KCNH2
SCHEMBL7653412 0.77 DRD2 (0.52) DRD2SIGMAR1HTR1AHTR2CDRD3
SCHEMBL4767684 0.77 DRD2 (0.55) DRD2DRD3DRD4
SCHEMBL12026476 0.77 MLYCD (0.52) DRD2MLYCDSCN9AKCNH2
SCHEMBL4772066 0.76 DRD2 (0.54) DRD2
SCHEMBL4765070 0.76 DRD2 (0.54) DRD2
SCHEMBL4772444 0.76 DRD2 (0.69) DRD2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 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 (1 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-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R DRD2 606/4885MLYCD 536/4885SIGMAR1 93/4885

“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.