SCHEMBL3240361

SCHEMBL3240361

CCN(CC)C(=O)c1cccc(C2(O)CCCCC2CN(C)C)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.74
OPRD1 P41143 3/20 0.74
OPRK1 P41145 3/20 0.74
SLC6A4 P31645 12/20 0.65
SLC6A2 P23975 10/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
SLC22A1 O15245 2/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
ARRB1 P49407 3/20 0.45
SLC6A3 Q01959 1/20 0.44
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL5509157 0.86 OPRM1 (0.81) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL3243590 0.85 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL3239924 0.85 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL3238503 0.85 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL3230874 0.83 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL5510269 0.83 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL3241161 0.82 OPRM1 (0.73) OPRM1OPRD1OPRK1SLC6A4SLC6A2
O-Desmethyl Tramadol SCHEMBL4396389 0.79 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL7921501 0.79 SLC6A4 (0.77) OPRM1OPRD1OPRK1SLC6A4SLC6A2
O-Desmethyl Tramadol SCHEMBL2517055 0.79 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748978-B1 CARBOXAMIDO OPIOID COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2014-06-04 EP claimed
US-7244866-B2 Carboxamido opioid compounds JANSSEN PHARMACEUTICAL N.V. (BE) 2007-07-17 US claimed
US-20050256203-A1 Carboxamido opioid compounds JANSSEN PHARMACEUTICAL N.V. (BE) 2005-11-17 US claimed
US-7745492-B2 Carboxamido opioid compounds JANSSEN PHARMACEUTICAL (BE) 2010-06-29 US disclosed
US-20080280990-A1 CARBOXAMIDO OPIOID COMPOUNDS CARSON JOHN R 2008-11-13 US disclosed
US-20070244194-A1 CARBOXAMIDO OPIOID COMPOUNDS CARSON JOHN R 2007-10-18 US disclosed
US-7244866-B2 Carboxamido opioid compounds JANSSEN PHARMACEUTICAL N.V. (BE) 2007-07-17 US disclosed
US-20050256203-A1 Carboxamido opioid compounds JANSSEN PHARMACEUTICAL N.V. (BE) 2005-11-17 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 (3 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-20070244194-A1 CARBOXAMIDO OPIOID COMPOUNDS OPRM1, OPRK1, OPRL1 OPRM1 1/4885OPRD1 4/4885OPRK1 2/4885
US-20080280990-A1 CARBOXAMIDO OPIOID COMPOUNDS OPRM1, OPRK1, OPRL1 OPRM1 1/4885OPRD1 4/4885OPRK1 2/4885
US-20050256203-A1 Carboxamido opioid compounds OPRM1, OPRK1, OPRL1 OPRM1 1/4885OPRD1 4/4885OPRK1 2/4885

“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.