SCHEMBL4399449

SCHEMBL4399449

CCCCCC(CN1CCNCC1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
GNAO1 P09471 7/20 0.38
GNAI3 P08754 6/20 0.38
GNAI1 P63096 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
SOD3 P08294 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
CXCR4 P61073 2/20 0.31
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL369682 0.87 GNAO1 (0.43) SIGMAR1GNAO1GNAI3GNAI1SOD3
SCHEMBL21581280 0.85 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL18761564 0.85 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL22702328 0.85 GNAO1 (0.42) SIGMAR1GNAO1GNAI3GNAI1SOD3
SCHEMBL18612783 0.85 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL22019451 0.85 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL28210517 0.85 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL21581261 0.85 GNAO1 (0.46) SIGMAR1GNAO1GNAI3GNAI1SLC6A2
SCHEMBL674946 0.85 CXCR4 (0.46) SIGMAR1SMN1; SMN2SLC6A2SLC6A4CXCR4
SCHEMBL22702329 0.84 SIGMAR1 (0.42) SIGMAR1GNAO1GNAI3GNAI1SOD3

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-20110319274-A1 Identification of Compounds Modifying a Cellular Response CARLSBERG A/S (DK) 2011-12-29 US disclosed
EP-1761783-B1 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE 2CUREX APS (DK) 2009-07-29 EP disclosed
EP-1761783-A2 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE Carlsberg A/S (DK) 2007-03-14 EP disclosed
WO-2007009457-A2 IDENTIFICATION OF PROTEIN LIGANDS MODIFYING A CELLULAR RESPONSE 2CUREX APS (DK) 2007-01-25 WO disclosed
WO-2005116643-A2 IDENTIFICATION OF COMPOUNDS MODIFYING A CELLULAR RESPONSE CARLSBERG A/S (DK) 2005-12-08 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-20110319274-A1 Identification of Compounds Modifying a Cellular Response MYD88, CD14, STAT1 SIGMAR1 2802/4885GNAO1 1678/4885GNAI3 803/4885

“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.