SCHEMBL780308

SCHEMBL780308

OCC1(Nc2ccccc2)CCN(CCc2cccs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 3/20 0.49
NPFFR2 Q9Y5X5 3/20 0.49
OPRM1 P35372 4/20 0.45
SLC22A1 O15245 1/20 0.45
ABCB1 P08183 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA14 Q9ULX7 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 1/20 0.41

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
Alcohol SCHEMBL7851452 0.96 OPRM1 (0.48) NPFFR1NPFFR2OPRM1SLC22A1ABCB1
SCHEMBL800612 0.88 OPRM1 (0.48) NPFFR1NPFFR2OPRM1SLC22A1ABCB1
Hydrochloric Acid SCHEMBL11563478 0.86 OPRM1 (0.54) NPFFR1NPFFR2OPRM1SLC22A1ABCB1
SCHEMBL781667 0.85 OPRM1 (0.55) NPFFR1NPFFR2OPRM1SLC22A1ABCB1
SCHEMBL9149473 0.82 NPFFR1 (0.69) NPFFR1NPFFR2SMN1; SMN2CA12CA1
SCHEMBL16440623 0.80 CA12 (0.61) NPFFR1NPFFR2OPRM1SLC22A1ABCB1
SCHEMBL800532 0.80 OPRM1 (0.50) OPRM1SLC22A1ABCB1TSHRCA12
SCHEMBL11562772 0.79 OPRM1 (0.54) OPRM1SLC22A1ABCB1TSHRCA12
SCHEMBL15866340 0.79 OPRM1 (0.46) OPRM1SLC22A1ABCB1TSHROPRD1
SCHEMBL11568939 0.77 OPRM1 (0.54) OPRM1SLC22A1ABCB1SMN1; SMN2CA12

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 32 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-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
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-2616464-A2 IMPROVED PROCESS FOR THE PREPARATION OF SUFENTANIL BASE AND RELATED COMPOUNDS Mallinckrodt LLC (US) 2013-07-24 EP 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 (1 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-20120071659-A1 Process for the Preparation of Sufentanil Base and Related Compounds SNRPD1, SNRPD2, SNRPA1 NPFFR1 874/4885NPFFR2 974/4885OPRM1 18/4885

“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.