SCHEMBL3303683

SCHEMBL3303683

CCC(=O)N(c1ccccc1)C1(C(=O)O)CCN(CCc2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.80
OPRD1 P41143 5/20 0.80
OPRK1 P41145 3/20 0.80
CACNA1C Q13936 1/20 0.60
OPRL1 P41146 1/20 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
Oxalic Acid SCHEMBL11563214 0.94 OPRM1 (0.72) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL821488 0.92 OPRM1 (0.78) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL11569033 0.92 OPRM1 (0.78) OPRM1OPRD1OPRK1CACNA1COPRL1
Hydrochloric Acid SCHEMBL11565387 0.91 OPRM1 (0.68) OPRM1OPRD1OPRK1
SCHEMBL14530925 0.91 OPRM1 (0.77) OPRM1OPRD1OPRK1CACNA1COPRL1
Oxalic Acid SCHEMBL11567140 0.89 OPRM1 (0.65) OPRM1OPRD1OPRK1CACNA1C
Carfentanil SCHEMBL116222 0.89 OPRM1 (1.00) OPRM1OPRD1OPRK1CACNA1COPRL1
[11C]-Carfentanil SCHEMBL29374424 0.89 OPRM1 (1.00) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL6045452 0.88 OPRM1 (0.62) OPRM1OPRD1OPRK1CACNA1C
Carfentanil SCHEMBL238456 0.88 OPRM1 (0.98) OPRM1OPRD1OPRK1CACNA1COPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987501-B2 Isotopically labeled chemically stable reagents and process for the synthesis thereof PERKINELMER HEALTH SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20100099880-A1 Alternate Process for Remifentanil Preparation MALLINCKRODT INC. 2010-04-22 US disclosed
EP-2125730-A2 NEW PROCESS FOR REMIFENTANIL SYNTHESIS Mallinckrodt Inc. (US) 2009-12-02 EP disclosed
EP-2081899-A2 ALTERNATE PROCESS FOR REMIFENTANIL PREPARATION Mallinckrodt Inc. (US) 2009-07-29 EP disclosed
US-20080319196-A1 Process for Synthesizing Remifentanil MALLINCKRODT INC. 2008-12-25 US disclosed
US-20080312448-A1 Process for Synthesizing Remifentanil MALLINCKRODT INC. 2008-12-18 US disclosed
EP-1984336-A2 PROCESS FOR SYNTHESIZING REMIFENTANIL MALLINCKRODT, INC. (US) 2008-10-29 EP disclosed
EP-1966140-A1 PROCESS FOR SYNTHESIZING REMIFENTANIL MALLINCKRODT, INC. (US) 2008-09-10 EP disclosed
WO-2008066708-A2 NEW PROCESS FOR REMIFENTANIL SYNTHESIS MALLINCKRODT INC. (US) 2008-06-05 WO disclosed
WO-2008045192-A2 ALTERNATE PROCESS FOR REMIFENTANIL PREPARATION MALLINCKRODT INC. (US) 2008-04-17 WO disclosed
WO-2007087164-A2 PROCESS FOR SYNTHESIZING REMIFENTANIL MALLINCKRODT INC. (US) 2007-08-02 WO disclosed
WO-2007061555-A1 PROCESS FOR SYNTHESIZING REMIFENTANIL MALLINCKRODT INC. (US) 2007-05-31 WO disclosed
US-5843900-A Bradykinin antagonists CORTECH, INC. (US) 1998-12-01 US disclosed
EP-0832106-A2 COMPOUNDS HAVING BRADYKININ ANTAGONISTIC ACTIVITY AND MU-OPIOID AGONISTIC ACTIVITY CORTECH, INC. (US) 1998-04-01 EP disclosed
WO-1996039425-A2 COMPOUNDS HAVING BRADYKININ ANTAGONISTIC ACTIVITY AND MU-OPIOID AGONISTIC ACTIVITY CORTECH, INC. (US) 1996-12-12 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 (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-20080319196-A1 Process for Synthesizing Remifentanil OPRK1, OPRM1, OGFR OPRM1 2/4885OPRD1 5/4885OPRK1 1/4885
US-20100099880-A1 Alternate Process for Remifentanil Preparation OPRK1, OPRM1, OGFR OPRM1 2/4885OPRD1 5/4885OPRK1 1/4885
US-20080312448-A1 Process for Synthesizing Remifentanil OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 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.