SCHEMBL3241161

SCHEMBL3241161

CN(C)CC1CCCCC1(O)c1cccc(C(=O)NC2CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.73
OPRD1 P41143 3/20 0.73
OPRK1 P41145 3/20 0.73
SLC6A2 P23975 8/20 0.64
SLC6A4 P31645 8/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SLC22A1 O15245 3/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
HTR3A P46098 5/20 0.44
HTR4 Q13639 1/20 0.44
ARRB1 P49407 1/20 0.44

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
SCHEMBL3230874 0.89 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL5509157 0.88 OPRM1 (0.81) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL5510269 0.85 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL3239924 0.84 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL3238503 0.84 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL3243590 0.84 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL3240361 0.82 OPRM1 (0.74) OPRM1OPRD1OPRK1SLC6A2SLC6A4
Desmetramadol SCHEMBL57246 0.78 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A2SLC6A4
O-Desmethyl Tramadol SCHEMBL2517055 0.78 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL7921501 0.78 SLC6A4 (0.77) OPRM1OPRD1OPRK1SLC6A2SLC6A4

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.