SCHEMBL6290696

SCHEMBL6290696

COc1cccc(C23CCCC([C@H]2C)N(C)CC3)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.71
OPRD1 P41143 5/20 0.71
SLC6A4 P31645 4/20 0.58
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 1/20 0.54
OPRM1 P35372 5/20 0.50
SIGMAR1 Q99720 4/20 0.50
GRIN2D O15399 3/20 0.50
GRIN3B O60391 3/20 0.50
GRIN1 Q05586 3/20 0.50
GRIN2A Q12879 3/20 0.50
GRIN2B Q13224 3/20 0.50
GRIN2C Q14957 3/20 0.50
GRIN3A Q8TCU5 3/20 0.50
CYP2D6 P10635 2/20 0.50
SLC22A1 O15245 1/20 0.50
ADRA2A P08913 1/20 0.50
TSHR P16473 1/20 0.50
ADRA2C P18825 1/20 0.50
TACR1 P25103 1/20 0.50

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
SCHEMBL6290699 1.00 OPRK1 (0.71) OPRK1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL6290697 1.00 OPRK1 (0.71) OPRK1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL6288110 0.83 OPRK1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL6288108 0.83 OPRK1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL6288109 0.83 OPRK1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL21383340 0.83 SLC6A4 (0.54) OPRK1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL6288029 0.81 SIGMAR1 (0.60) OPRK1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL11086789 0.81 SLC6A4 (0.62) OPRK1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL11249000 0.78 SLC6A4 (0.79) OPRK1OPRD1SLC6A4SLC6A2SLC6A3
SCHEMBL11248997 0.78 SLC6A4 (0.79) OPRK1OPRD1SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900228-B1 Opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2005-05-31 US disclosed
EP-1512683-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2005-03-09 EP disclosed
US-20040146518-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2004-07-29 US disclosed
US-20030158415-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE 2003-08-21 US disclosed
US-6593348-B2 N-substituted(+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl)piperidine compounds; opiod receptors RESEARCH TRIANGLE INSTITUTE 2003-07-15 US disclosed
US-6552032-B2 N-substituted (+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl) piperidine (4a) derivatives RESEARCH TRIANGLE INSTITUTE 2003-04-22 US disclosed
US-6531481-B2 Opioid receptor antagonists and agonists; for example, a 1-(arylcarbonylaminoalkyl),3,4-dimethyl-4-(3-hydroxyphenyl)-piperidine compound of given formula RESEARCH TRIANGLE INSTITUTE 2003-03-11 US disclosed
US-20020193602-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2002-12-19 US disclosed
US-20020169324-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 2002-11-14 US disclosed
US-20020165396-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 2002-11-07 US disclosed
EP-1061919-A4 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RES TRIANGLE INST (US) 2002-09-04 EP disclosed
EP-1061919-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE Carrol, Frank Ivy (US) 2000-12-27 EP disclosed
WO-1999045925-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 1999-09-16 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 (5 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-20020169324-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE OPRK1, OPRM1, OPRL1 OPRK1 1/4885OPRD1 5/4885SLC6A4 189/4885
US-20030158415-A1 Novel opiate compounds, methods of making and methods of use OPRL1, OPRM1, OPRK1 OPRK1 3/4885OPRD1 5/4885SLC6A4 127/4885
US-20020193602-A1 Novel opiate compounds, methods of making and methods of use OPRK1, OPRM1, OPRL1 OPRK1 1/4885OPRD1 5/4885SLC6A4 189/4885
US-20020165396-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE OPRK1, OPRM1, OPRL1 OPRK1 1/4885OPRD1 5/4885SLC6A4 189/4885
US-20040146518-A1 Novel opiate compounds, methods of making and methods of use OPRK1, OPRM1, OPRL1 OPRK1 1/4885OPRD1 5/4885SLC6A4 189/4885

“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.