SCHEMBL4677874

SCHEMBL4677874

OC1CCN(CC2CCCC[N]2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
OPRK1 P41145 3/20 0.33
KDM4E B2RXH2 2/20 0.32
KCNA3 P22001 1/20 0.32
CYP2D6 P10635 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LTA4H P09960 2/20 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
SCHEMBL7124490 0.95 ALDH1A1 (0.33) ALDH1A1OPRK1PDCD1CD274
SCHEMBL145046 0.84 KCNA3 (0.31) KCNA3
SCHEMBL1489984 0.77 CHRM5 (0.46) SMN1; SMN2
SCHEMBL2439043 0.76 CHRM5 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL7122091 0.75 HRH3 (0.30)
SCHEMBL12204189 0.72 CHRM5 (0.56) OPRK1OPRM1OPRD1SMN1; SMN2
SCHEMBL2444719 0.71 GAA (0.35) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL713122 0.71 CHRM5 (0.43)
SCHEMBL39245 0.71 CHRM5 (0.43)
SCHEMBL7114598 0.71 ACHE (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487809-B1 PROCESS FOR THE PREPARATION OF MORPHOLINE DERIVATIVES AND INTERMEDIATES THEREFORE GLAXO GROUP LTD (GB) 2008-01-09 EP disclosed
US-7157457-B2 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2007-01-02 US disclosed
EP-1586567-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-10-19 EP disclosed
EP-1487809-A1 PROCESS FOR THE PREPARATION OF MORPHOLINE DERIVATIVES AND INTERMEDIATES THEREFORE GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2004-03-25 US disclosed
WO-2003082835-A1 PROCESS FOR THE PREPARATION OF MORPHOLINE DERIVATIVES AND INTERMEDIATES THEREFORE GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed
EP-1324991-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
WO-2002026723-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 WO disclosed
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
US-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 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 (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-20040058907-A1 Compounds useful in the treatment of inflammatory diseases TNF, IL1B, IL4 ALDH1A1 922/4885OPRK1 464/4885KDM4E 3419/4885

“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.