SCHEMBL3238503

SCHEMBL3238503

CN(C)CC1CCCCC1(O)c1cccc(C(N)=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 1.00
OPRD1 P41143 3/20 1.00
OPRK1 P41145 3/20 1.00
SLC6A4 P31645 10/20 0.69
SLC6A2 P23975 9/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
SLC22A1 O15245 2/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
ARRB1 P49407 6/20 0.59

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
SCHEMBL3243590 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL3239924 1.00 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL5509157 0.89 OPRM1 (0.81) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL13292252 0.87 OPRM1 (0.77) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL3230874 0.86 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL5510269 0.86 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL3240361 0.85 OPRM1 (0.74) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL3241161 0.84 OPRM1 (0.73) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL20399328 0.82 OPRM1 (0.69) OPRM1OPRD1OPRK1SLC6A4SLC6A2
SCHEMBL29613630 0.82 OPRM1 (0.69) 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 18 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
EP-1748978-B1 CARBOXAMIDO OPIOID COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2014-06-04 EP disclosed
US-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-16 US disclosed
US-7745492-B2 Carboxamido opioid compounds JANSSEN PHARMACEUTICAL (BE) 2010-06-29 US disclosed
US-7745492-B2 Carboxamido opioid compounds JANSSEN PHARMACEUTICAL (BE) 2010-06-29 US disclosed
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-20080280990-A1 CARBOXAMIDO OPIOID COMPOUNDS CARSON JOHN R 2008-11-13 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-20070244194-A1 CARBOXAMIDO OPIOID COMPOUNDS CARSON JOHN R 2007-10-18 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-7244866-B2 Carboxamido opioid compounds JANSSEN PHARMACEUTICAL N.V. (BE) 2007-07-17 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 (4 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-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 OPRM1 3673/4885OPRD1 4771/4885OPRK1 3979/4885
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.