SCHEMBL5145148

SCHEMBL5145148

NC(=O)Cc1ccc(OCCNCCCc2ccc(Cl)cc2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.49
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 4/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
DRD1 P21728 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5160156 0.90 ADRB2 (0.53) ADRB2KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL5945583 0.90 ADRB2 (0.56) ADRB2DRD2DRD4DRD3DRD1
SCHEMBL5146665 0.90 KDM4E (0.47) ADRB2KDM4ESMN1; SMN2ALDH1A1TAAR1
SCHEMBL5945551 0.89 ADRB2 (0.50) ADRB2KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL5145140 0.89 ADRB2 (0.52) ADRB2DRD2DRD4DRD3DRD1
SCHEMBL5144889 0.88 KDM4E (0.43) ADRB2KDM4ESMN1; SMN2ALDH1A1TAAR1
SCHEMBL5145308 0.87 ADRB2 (0.53) ADRB2KDM4ESMN1; SMN2ALDH1A1DRD2
SCHEMBL5147394 0.87 ADRB2 (0.52) ADRB2DRD2DRD4DRD3DRD1
SCHEMBL5146894 0.86 ADRB2 (0.51) ADRB2DRD2DRD4DRD3DRD1
SCHEMBL5945488 0.86 ADRB2 (0.51) ADRB2KDM4ESMN1; SMN2ALDH1A1LMNA

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 722/4885KDM4E 1297/4885SMN1; SMN2 1017/4885

“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.