SCHEMBL1828599

SCHEMBL1828599

O=C1[N]CCC1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.47
CRBN Q96SW2 2/20 0.47
SLC6A2 P23975 5/20 0.40
SLC6A3 Q01959 4/20 0.40
HRH1 P35367 1/20 0.39
ROCK2 O75116 1/20 0.37
SLC6A4 P31645 3/20 0.37
GAA P10253 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL1827649 0.89 DDB1 (0.45) DDB1CRBNSLC6A2SLC6A3HRH1
SCHEMBL1829669 0.81 DDB1 (0.46) DDB1CRBNSLC6A2SLC6A3HRH1
SCHEMBL7341186 0.77 DDB1 (0.41) DDB1CRBNSLC6A2SLC6A3HRH1
SCHEMBL10433175 0.71 ALDH1A1 (0.40) DDB1CRBNSLC6A2SLC6A3HRH1
SCHEMBL11328083 0.70 DDB1 (0.44) DDB1CRBNSLC6A2SLC6A3HRH1
SCHEMBL13322050 0.68 DDB1 (0.53) DDB1CRBNSLC6A2SLC6A3HRH1
SCHEMBL1829741 0.67 DDB1 (0.43) DDB1CRBNSLC6A3GAAALDH1A1
SCHEMBL9417243 0.67 DDB1 (0.47) DDB1CRBNSLC6A2SLC6A3HRH1
SCHEMBL16148496 0.67 DDB1 (0.60) DDB1CRBNSLC6A2SLC6A3HRH1
SCHEMBL148639 0.67 MAOA (0.52) DDB1CRBNALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
US-20180340174-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-11-29 US disclosed
EP-3218479-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2017-09-20 EP disclosed
WO-2016074683-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-19 WO disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 DDB1 163/4885CRBN 2397/4885SLC6A2 4043/4885

“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.