SCHEMBL1492481

SCHEMBL1492481

CN(C)C(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.63
DRD3 P35462 10/20 0.63
DRD2 P14416 9/20 0.63
DRD4 P21917 7/20 0.63
CYP2D6 P10635 4/20 0.63
CHRM2 P08172 4/20 0.63
CHRM1 P11229 4/20 0.63
KCNH2 Q12809 4/20 0.63
LMNA P02545 3/20 0.63
OPRD1 P41143 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SIGMAR1 Q99720 3/20 0.63
HTR1A P08908 3/20 0.63
SCN1A P35498 3/20 0.63
SCN2A Q99250 3/20 0.63
SCN3A Q9NY46 3/20 0.63
ADRB2 P07550 2/20 0.63
ADRA2A P08913 2/20 0.63
SLC6A4 P31645 2/20 0.63

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
SCHEMBL6836914 0.85 OPRM1 (0.69) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL2221753 0.85 OPRM1 (0.71) OPRM1DRD3DRD2DRD4CYP2D6
Norpipanone SCHEMBL25085 0.83 OPRM1 (0.75) OPRM1DRD3DRD2CYP2D6CHRM2
Norpipanone SCHEMBL316886 0.82 OPRM1 (0.73) OPRM1DRD3DRD2CYP2D6CHRM2
SCHEMBL6841125 0.81 OPRM1 (0.73) OPRM1DRD3DRD2DRD4CYP2D6
Fenpipramide SCHEMBL149504 0.81 CHRM2 (0.60) OPRM1DRD3DRD2CYP2D6CHRM2
SCHEMBL219257 0.81 CHRM2 (0.60) OPRM1DRD3DRD2CYP2D6CHRM2
SCHEMBL10575924 0.81 CYP2D6 (0.50) OPRM1DRD3DRD2DRD4CYP2D6
SCHEMBL10768406 0.81 OPRM1 (0.63) OPRM1DRD3DRD2DRD4CYP2D6
Fenpipramide SCHEMBL11716116 0.81 OPRM1 (0.56) OPRM1DRD3DRD2CYP2D6CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311788-A1 Antifouling Compounds And Use Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-10-27 US disclosed
US-20160311788-A1 Antifouling Compounds And Use Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-10-27 US disclosed
US-20160311788-A1 Antifouling Compounds And Use Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-10-27 US disclosed
EP-2294144-B1 ANTIFOULING COMPOUNDS AND USE THEREOF UNIV SINGAPORE (SG) 2014-03-05 EP disclosed
EP-2294144-B1 ANTIFOULING COMPOUNDS AND USE THEREOF UNIV SINGAPORE (SG) 2014-03-05 EP disclosed
US-20110092518-A1 Antifouling Compounds And Use Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-04-21 US disclosed
US-20110092518-A1 Antifouling Compounds And Use Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-04-21 US disclosed
US-20110092518-A1 Antifouling Compounds And Use Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-04-21 US disclosed
EP-2294144-A1 ANTIFOULING COMPOUNDS AND USE THEREOF National University of Singapore (SG) 2011-03-16 EP disclosed
WO-2009139729-A1 ANTIFOULING COMPOUNDS AND USE THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2009-11-19 WO disclosed
WO-2009139729-A1 ANTIFOULING COMPOUNDS AND USE THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2009-11-19 WO disclosed
EP-1058684-A1 GLYCINE TRANSPORT INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2000-12-13 EP disclosed
WO-1999045011-A1 GLYCINE TRANSPORT INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 1999-09-10 WO disclosed
EP-0219898-A1 Novel alpha,alpha-diaryl-4-aryl-4-hydroxy-1-piperidinebutanamide, N-oxides JANSSEN PHARMACEUTICA N.V. (BE) 1987-04-29 EP 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-20160311788-A1 Antifouling Compounds And Use Thereof C5, C9, C1S OPRM1 355/4885DRD3 945/4885DRD2 807/4885
US-20110092518-A1 Antifouling Compounds And Use Thereof C5, C9, C1S OPRM1 362/4885DRD3 944/4885DRD2 807/4885

“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.