SCHEMBL4093709

SCHEMBL4093709

NCCCN1CCC(c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6707313 0.96 TLR9 (0.46) TLR9TLR7SIGMAR1DRD2SLC6A4
SCHEMBL6707222 0.78 TSHR (0.50) DRD2HTTCYP3A4SMN1; SMN2CYP2D6
SCHEMBL14183799 0.78 QDPR (0.54) HTTCYP3A4MAPTSMN1; SMN2TRPM8
SCHEMBL7530735 0.77 ADRA1A (0.50) DRD2
SCHEMBL109226 0.75 CYP2C19 (0.57) HTTCYP3A4MAPTSMN1; SMN2TRPM8
SCHEMBL1895209 0.75 CYP2C19 (0.57) HTTCYP3A4MAPTSMN1; SMN2TRPM8
SCHEMBL6712683 0.74 SLC6A4 (0.68) SIGMAR1DRD2SLC6A4CYP3A4CYP2D6
SCHEMBL3595429 0.74 DRD2 (0.59) SIGMAR1DRD2CYP3A4CYP2D6CYP2C19
SCHEMBL27932651 0.74 DRD2 (0.69) SIGMAR1DRD2
SCHEMBL6198442 0.73 SIGMAR1 (0.69) SIGMAR1DRD2CYP3A4CYP2D6CYP2C19

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-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
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 WO 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 TLR9 2584/4885TLR7 1660/4885SIGMAR1 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.