SCHEMBL781667

SCHEMBL781667

COCC1(Nc2ccccc2)CCN(CCc2cccs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
SLC22A1 O15245 1/20 0.55
ABCB1 P08183 1/20 0.55
NPFFR1 Q9GZQ6 2/20 0.44
NPFFR2 Q9Y5X5 2/20 0.44
OPRD1 P41143 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38

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
Hydrochloric Acid SCHEMBL11563478 0.99 OPRM1 (0.54) OPRM1SLC22A1ABCB1NPFFR1NPFFR2
SCHEMBL800612 0.87 OPRM1 (0.48) OPRM1SLC22A1ABCB1NPFFR1NPFFR2
SCHEMBL780308 0.85 NPFFR1 (0.49) OPRM1SLC22A1ABCB1NPFFR1NPFFR2
Alcohol SCHEMBL7851452 0.84 OPRM1 (0.48) OPRM1SLC22A1ABCB1NPFFR1NPFFR2
SCHEMBL9148987 0.83 NPFFR1 (0.61) OPRM1NPFFR1NPFFR2OPRD1SMN1; SMN2
Hydrochloric Acid SCHEMBL11565432 0.82 NPFFR1 (0.60) OPRM1NPFFR1NPFFR2OPRD1SMN1; SMN2
SCHEMBL11565221 0.80 NPFFR1 (0.47) OPRM1NPFFR1NPFFR2OPRD1SMN1; SMN2
SCHEMBL17064124 0.79 OPRM1 (0.60) OPRM1SLC22A1ABCB1OPRD1SMN1; SMN2
SCHEMBL11564641 0.79 NPFFR1 (0.53) NPFFR1NPFFR2SMN1; SMN2
SCHEMBL11562772 0.79 OPRM1 (0.54) OPRM1SLC22A1ABCB1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616464-B1 IMPROVED PROCESS FOR THE PREPARATION OF A PRECURSOR OF SUFENTANIL BASE MALLINCKRODT LLC (US) 2018-01-03 EP claimed
EP-2616464-A2 IMPROVED PROCESS FOR THE PREPARATION OF SUFENTANIL BASE AND RELATED COMPOUNDS Mallinckrodt LLC (US) 2013-07-24 EP claimed
US-20120071659-A1 Process for the Preparation of Sufentanil Base and Related Compounds MALLINCKRODT LLC (US) 2012-03-22 US claimed
WO-2012037309-A2 IMPROVED PROCESS FOR THE PREPARATION OF SUFENTANIL BASE AND RELATED COMPOUNDS MALLINCKRODT LLC (US) 2012-03-22 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
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-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
EP-2455377-A1 Synthesis of fentanyl analogs hameln rds gmbh (DE) 2012-05-23 EP disclosed
EP-2455377-A1 Synthesis of fentanyl analogs hameln rds gmbh (DE) 2012-05-23 EP 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
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 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
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 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-20060149071-A1 New methods for the synthesis of alfentanil, sufentanil, and remifentanil OPRK1, OPRM1, OPRL1 OPRM1 2/4885SLC22A1 4474/4885ABCB1 2872/4885
US-20120071659-A1 Process for the Preparation of Sufentanil Base and Related Compounds SNRPD1, SNRPD2, SNRPA1 OPRM1 18/4885SLC22A1 2445/4885ABCB1 1242/4885
US-20040138461-A1 Methods for the syntheses of alfentanil sufentanil and remifentanil HNMT, OPRM1, ALKBH3 OPRM1 2/4885SLC22A1 4355/4885ABCB1 3256/4885

“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.