SCHEMBL782996

SCHEMBL782996

O=C(Nc1ccccc1)C1(Nc2ccccc2)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
FAAH O00519 4/20 0.49
HDAC1 Q13547 1/20 0.49
CYP3A4 P08684 1/20 0.47
POLB P06746 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
CDK9 P50750 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL10499852 0.86 CYP1A2 (0.54) CYP1A2CYP2D6FAAHHDAC1CYP3A4
SCHEMBL3210914 0.85 CYP1A2 (0.51) CYP1A2CYP2D6HDAC1CYP3A4POLB
SCHEMBL654160 0.82 KDM4E (0.51) CYP1A2CYP2D6HDAC1CYP3A4POLB
SCHEMBL12756274 0.82 NPFFR1 (0.45) CYP1A2CYP2D6HDAC1CYP3A4POLB
SCHEMBL4781784 0.81 ATM (0.47) POLBNPFFR1NPFFR2MEN1KMT2A
SCHEMBL15054853 0.80 FAAH (0.49) CYP1A2CYP2D6FAAHHDAC1CYP3A4
SCHEMBL11455113 0.79 OPRM1 (0.48) CYP1A2CYP2D6HDAC1CYP3A4POLB
SCHEMBL20224882 0.79 CYP1A2 (0.52) CYP1A2CYP2D6FAAHHDAC1CYP3A4
SCHEMBL11567708 0.78 NPFFR1 (0.44) CYP1A2CYP2D6HDAC1CYP3A4POLB
SCHEMBL20070034 0.75 CYP1A2 (0.49) CYP1A2CYP2D6FAAHHDAC1CYP3A4

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 16 patents. 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
US-20080312448-A1 Process for Synthesizing Remifentanil MALLINCKRODT INC. 2008-12-18 US disclosed
US-20080312448-A1 Process for Synthesizing Remifentanil MALLINCKRODT INC. 2008-12-18 US 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
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 (2 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 CYP1A2 689/4885CYP2D6 431/4885FAAH 2016/4885
US-20080312448-A1 Process for Synthesizing Remifentanil OPRM1, OPRK1, OPRD1 CYP1A2 13/4885CYP2D6 55/4885FAAH 22/4885

“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.