SCHEMBL3789525

SCHEMBL3789525

O=C1CCc2ccc(N3CCN(c4cccnc4)C3=O)cc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
DRD2 P14416 2/20 0.48
DRD3 P35462 1/20 0.48
CYP11B2 P19099 8/20 0.47
CYP11B1 P15538 6/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
CYP17A1 P05093 3/20 0.46
CYP1A2 P05177 1/20 0.45
GRM1 Q13255 1/20 0.44
SCN9A Q15858 1/20 0.41
HTT P42858 1/20 0.38

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
SCHEMBL3783196 0.90 CYP11B2 (0.54) HDAC1DRD2DRD3CYP11B2CYP11B1
SCHEMBL15602938 0.77 HDAC1 (0.52) HDAC1DRD2DRD3CYP11B2CYP11B1
SCHEMBL12315137 0.77 HDAC1 (0.52) HDAC1DRD2DRD3CYP11B2CYP11B1
SCHEMBL15602939 0.77 HDAC1 (0.52) HDAC1DRD2DRD3CYP11B2CYP11B1
SCHEMBL3787527 0.76 CYP17A1 (0.62) HDAC1DRD2DRD3CYP11B2CYP11B1
SCHEMBL7833832 0.75 CYP11B2 (0.56) HDAC1DRD2DRD3CYP11B2CYP11B1
SCHEMBL7837571 0.75 HDAC1 (0.64) HDAC1DRD2DRD3CYP11B2CYP11B1
SCHEMBL7835172 0.74 HDAC1 (0.63) HDAC1DRD2DRD3CYP11B2CYP11B1
SCHEMBL7835211 0.74 HDAC1 (0.63) HDAC1DRD2DRD3CYP11B2CYP11B1
SCHEMBL3780359 0.73 CYP11B1 (0.62) HDAC1DRD2DRD3CYP11B2CYP11B1

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
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
CN-102803250-B 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2014-04-16 CN disclosed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP disclosed
CN-102803250-A 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2012-11-28 CN disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US 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-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 HDAC1 1671/4885DRD2 3601/4885DRD3 1922/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 HDAC1 1671/4885DRD2 3601/4885DRD3 1922/4885

“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.