SCHEMBL1703262

SCHEMBL1703262

CCN(CCCCCCCCN1C(=O)c2ccccc2C1=O)OCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
HTR1A P08908 5/20 0.47
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD2 P14416 1/20 0.47
HTR6 P50406 1/20 0.47
DRD3 P35462 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX12 P18054 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL8559095 0.80 HTR1A (0.69) MAOBHTR1AMEN1KMT2ANPSR1
SCHEMBL8559706 0.80 HTR1A (0.69) MAOBHTR1AMEN1KMT2ANPSR1
SCHEMBL8559799 0.80 HTR1A (0.69) MAOBHTR1AMEN1KMT2ANPSR1
SCHEMBL1703636 0.80 HTR1A (0.69) MAOBHTR1AMEN1KMT2ANPSR1
SCHEMBL8554700 0.80 HTR1A (0.69) MAOBHTR1AMEN1KMT2ANPSR1
SCHEMBL1463660 0.79 HTR1A (0.69) MAOBHTR1AMEN1KMT2ANPSR1
SCHEMBL13698951 0.78 RAB9A (0.57) NPSR1
SCHEMBL1703646 0.76 MAOB (0.64) MAOBBCHEACHE
SCHEMBL13046261 0.76 MEN1 (0.54) MAOBHTR1AMEN1KMT2ANPSR1
SCHEMBL13045607 0.76 DRD3 (0.53) MAOBHTR1AMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
EP-2440527-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE Topo Target A/S (DK) 2012-04-18 EP disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 WO disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT MAOB 41/4885HTR1A 1298/4885BCHE 1165/4885

“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.