SCHEMBL5145319

SCHEMBL5145319

COc1cc(CC(N)=O)ccc1OCCNCCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.58
MTNR1A P48039 3/20 0.56
MTNR1B P49286 3/20 0.56
HTR1A P08908 4/20 0.54
ADRA1D P25100 4/20 0.54
ADRA1A P35348 4/20 0.54
ADRA1B P35368 4/20 0.54
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.49
BCHE P06276 1/20 0.48
APP P05067 1/20 0.47
NR1H3 Q13133 1/20 0.47
ADRB1 P08588 1/20 0.47

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
SCHEMBL5143595 0.92 MTNR1A (0.60) ADRB2MTNR1AMTNR1BHTR1AADRA1D
SCHEMBL5945449 0.87 ADRB2 (0.61) ADRB2MTNR1AMTNR1BDRD2DRD1
SCHEMBL7174310 0.86 ADRB2 (0.55) ADRB2MTNR1AMTNR1BHTR1AADRA1D
SCHEMBL5147281 0.83 ADRB2 (0.57) ADRB2MTNR1AMTNR1BHTR1AADRA1D
SCHEMBL5145316 0.83 MTNR1A (0.64) ADRB2MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL5145083 0.83 KDM4E (0.59) ADRB2MTNR1AMTNR1BDRD2DRD1
SCHEMBL7174320 0.82 ADRB2 (0.54) ADRB2MTNR1AMTNR1BDRD2DRD1
SCHEMBL5945527 0.81 ADRB2 (0.53) ADRB2MTNR1AMTNR1BDRD2DRD1
SCHEMBL5145308 0.81 ADRB2 (0.53) ADRB2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5945442 0.81 ADRB2 (0.55) ADRB2HTR1ADRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697303-A4 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES (US) 2007-07-04 EP disclosed
EP-1697303-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2006-09-06 EP disclosed
US-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof STIEFEL LABORATORIES, INC. 2006-03-02 US disclosed
WO-2005068414-A1 CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF STIEFEL LABORATORIES, INC. (US) 2005-07-28 WO disclosed
EP-0525360-B1 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1998-03-25 EP disclosed
US-5242944-A Analgesics or antiinflammatory agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-09-07 US disclosed
EP-0525360-A2 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-02-03 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 (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-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof HPD, HNMT, PRPH ADRB2 722/4885MTNR1A 1766/4885MTNR1B 2488/4885

“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.