SCHEMBL3785203

SCHEMBL3785203

C[N+]1(C)CCN(c2cccnc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.46
HDAC1 Q13547 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP11B1 P15538 4/20 0.42
HTT P42858 1/20 0.41
ELANE P08246 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40

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
SCHEMBL22797004 0.75 CYP11B2 (0.54) CYP11B2HDAC1DRD2DRD3ALDH1A1
SCHEMBL3780264 0.74 KEAP1 (0.38) CYP11B2MAPTCYP11B1
SCHEMBL27774657 0.71 DRD2 (0.58) CYP11B2HDAC1DRD2DRD3ALDH1A1
SCHEMBL3778218 0.70 CHRNB2 (0.51) CYP11B2HDAC1DRD2DRD3CYP11B1
SCHEMBL306879 0.69 GAA (0.58) CYP11B2HDAC1DRD2DRD3ALDH1A1
SCHEMBL31700253 0.69 GAA (0.58) CYP11B2HDAC1DRD2DRD3ALDH1A1
SCHEMBL7614506 0.69 L3MBTL1 (0.47) CYP11B2HDAC1DRD2DRD3CYP11B1
SCHEMBL7614501 0.69 L3MBTL1 (0.47) CYP11B2HDAC1DRD2DRD3CYP11B1
SCHEMBL7614509 0.69 L3MBTL1 (0.47) CYP11B2HDAC1DRD2DRD3CYP11B1
SCHEMBL5729484 0.68 CHRNB2 (0.57) HTT

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 4 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
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 CYP11B2 21/4885HDAC1 1671/4885DRD2 3601/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 CYP11B2 21/4885HDAC1 1671/4885DRD2 3601/4885

“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.