SCHEMBL780425

SCHEMBL780425

CCOC(=O)N1CCC(Nc2ccccc2)(C(=O)Nc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
ABL1 P00519 1/20 0.52
POLB P06746 1/20 0.52
RIN1 Q13671 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP2C19 P33261 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
APP P05067 1/20 0.46
PTPN11 Q06124 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL11569029 0.88 MAPT (0.63) MAPTABL1POLBRIN1TDP1
SCHEMBL13422548 0.88 MAPT (0.53) MAPTABL1POLBRIN1TDP1
SCHEMBL800531 0.87 MAPT (0.58) MAPTABL1POLBRIN1TDP1
SCHEMBL5067988 0.86 MAPT (0.56) MAPTABL1POLBRIN1TDP1
SCHEMBL11568412 0.86 MAPT (0.56) MAPTABL1POLBRIN1TDP1
SCHEMBL13451568 0.82 MAPT (0.52) MAPTABL1POLBRIN1TDP1
SCHEMBL28137416 0.81 MAPT (0.61) MAPTABL1POLBRIN1TDP1
SCHEMBL10499987 0.80 MEN1 (0.53) MAPTCYP2C19TSHRCYP3A4
SCHEMBL19690767 0.79 MAPT (0.48) MAPTTSHRLMNAKDM4E
SCHEMBL27442353 0.77 MAPT (1.00) MAPTABL1POLBRIN1TDP1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721452-B1 PROCESS FOR THE PREPARATION OF SUFENTANIL DERIVATIVES BY CARBENE ADDITION/AMINOLYSIS OF 4-PIPERIDONE MALLINCKRODT INC (US) 2001-06-20 EP claimed
EP-0721452-A1 PROCESS FOR THE PREPARATION OF SUFENTANIL DERIVATIVES BY CARBENE ADDITION/AMINOLYSIS OF 4-PIPERIDONE Mallinckrodt Chemical, Inc. (US) 1996-07-17 EP claimed
US-5489689-A CONDENSING A PIPERIDONE WITH A PRIMARY AMINE TO FORM A 4-AMINO-4-CARBOXYAMINOPIPERIDINE; HYDROLYSIS; CONDENSATION WITH A MESYLATE CONTAINING A PHENYL, THIENYL OR 4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZPINE MALLINCKRODT CHEMICAL, INC. (US) 1996-02-06 US claimed
WO-1995009152-A1 PROCESS FOR THE PREPARATION OF SUFENTANIL DERIVATIVES BY CARBENE ADDITION/AMINOLYSIS OF 4-PIPERIDONE MALLINCKRODT CHEMICAL, INC. (US) 1995-04-06 WO claimed
EP-2616464-B1 IMPROVED PROCESS FOR THE PREPARATION OF A PRECURSOR OF SUFENTANIL BASE MALLINCKRODT LLC (US) 2018-01-03 EP disclosed
US-8946433-B2 Process for the preparation of sufentanil base and related compounds MALLINCKRODT LLC (US) 2015-02-03 US disclosed
EP-2455377-B1 Synthesis of fentanyl analogs HAMELN RDS GMBH (DE) 2014-07-09 EP disclosed
EP-2616464-A2 IMPROVED PROCESS FOR THE PREPARATION OF SUFENTANIL BASE AND RELATED COMPOUNDS Mallinckrodt LLC (US) 2013-07-24 EP disclosed
US-20120071659-A1 Process for the Preparation of Sufentanil Base and Related Compounds MALLINCKRODT LLC (US) 2012-03-22 US disclosed
WO-2012037309-A2 IMPROVED PROCESS FOR THE PREPARATION OF SUFENTANIL BASE AND RELATED COMPOUNDS MALLINCKRODT LLC (US) 2012-03-22 WO disclosed
EP-2044021-B1 PROCESS FOR PREPARING REMIFENTANIL, INTERMEDIATES THEREOF, USE OF SAID INTERMEDIATES AND PROCESSES FOR THEIR PREPARATION KERN PHARMA S L (ES) 2010-03-31 EP disclosed
US-20100016601-A1 PROCESS FOR PREPARING REMIFENTANIL, INTERMEDIATES THEREOF, USE OF SAID INTERMEDIATES AND PROCESSES FOR THE PREPARATION THEREOF KERN PHARMA, S.L. 2010-01-21 US disclosed
EP-1246801-B1 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC (US) 2006-09-20 EP disclosed
US-7074935-B2 Methods for the syntheses of alfentanil, sufentanil and remifentanil MALLINCKRODT INC. (US) 2006-07-11 US disclosed
US-20060149071-A1 New methods for the synthesis of alfentanil, sufentanil, and remifentanil MALLINCKRODT, INC. 2006-07-06 US disclosed
US-20040138461-A1 Methods for the syntheses of alfentanil sufentanil and remifentanil MALLINCKRODT, INC. 2004-07-15 US disclosed
EP-1246801-A2 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC. (US) 2002-10-09 EP disclosed
EP-0721452-B1 PROCESS FOR THE PREPARATION OF SUFENTANIL DERIVATIVES BY CARBENE ADDITION/AMINOLYSIS OF 4-PIPERIDONE MALLINCKRODT INC (US) 2001-06-20 EP disclosed
WO-2001040184-A2 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC. (US) 2001-06-07 WO disclosed
US-5489689-A CONDENSING A PIPERIDONE WITH A PRIMARY AMINE TO FORM A 4-AMINO-4-CARBOXYAMINOPIPERIDINE; HYDROLYSIS; CONDENSATION WITH A MESYLATE CONTAINING A PHENYL, THIENYL OR 4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZPINE MALLINCKRODT CHEMICAL, INC. (US) 1996-02-06 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-20060149071-A1 New methods for the synthesis of alfentanil, sufentanil, and remifentanil OPRK1, OPRM1, OPRL1 MAPT 2276/4885ABL1 1935/4885POLB 2767/4885
US-20120071659-A1 Process for the Preparation of Sufentanil Base and Related Compounds SNRPD1, SNRPD2, SNRPA1 MAPT 3645/4885ABL1 2020/4885POLB 1072/4885
US-20040138461-A1 Methods for the syntheses of alfentanil sufentanil and remifentanil HNMT, OPRM1, ALKBH3 MAPT 2666/4885ABL1 2365/4885POLB 1627/4885
US-20100016601-A1 PROCESS FOR PREPARING REMIFENTANIL, INTERMEDIATES THEREOF, USE OF SAID INTERMEDIATES AND PROCESSES FOR THE PREPARATION THEREOF OPRK1, CYP3A43, CYP3A4 MAPT 3123/4885ABL1 1660/4885POLB 934/4885

“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.