SCHEMBL6288109

SCHEMBL6288109

C[C@H]1C2CCCC1(c1cccc(O)c1)CCN2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 1.00
OPRD1 P41143 13/20 1.00
OPRM1 P35372 13/20 0.68

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
SCHEMBL6288110 1.00 OPRK1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL6288108 1.00 OPRK1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL6290697 0.83 OPRK1 (0.71) OPRK1OPRD1OPRM1
SCHEMBL6290696 0.83 OPRK1 (0.71) OPRK1OPRD1OPRM1
SCHEMBL6290699 0.83 OPRK1 (0.71) OPRK1OPRD1OPRM1
SCHEMBL6288082 0.81 OPRM1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL22924597 0.81 OPRM1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL22924576 0.81 OPRM1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL6288083 0.81 OPRM1 (1.00) OPRK1OPRD1OPRM1
SCHEMBL21399568 0.81 OPRM1 (1.00) OPRK1OPRD1OPRM1

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 5/4885OPRM1 2/4885
US-20030158415-A1 Novel opiate compounds, methods of making and methods of use OPRL1, OPRM1, OPRK1 OPRK1 3/4885OPRD1 5/4885OPRM1 2/4885
US-20020193602-A1 Novel opiate compounds, methods of making and methods of use OPRK1, OPRM1, OPRL1 OPRK1 1/4885OPRD1 5/4885OPRM1 2/4885
US-20020165396-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE OPRK1, OPRM1, OPRL1 OPRK1 1/4885OPRD1 5/4885OPRM1 2/4885
US-20040146518-A1 Novel opiate compounds, methods of making and methods of use OPRK1, OPRM1, OPRL1 OPRK1 1/4885OPRD1 5/4885OPRM1 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.