SCHEMBL3782201

SCHEMBL3782201

Cc1ccncc1N1CCN(c2ccc3c(cnn3C)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 18/20 0.47
CYP11B2 P19099 1/20 0.40
MCHR2 Q969V1 1/20 0.40
MCHR1 Q99705 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
SCHEMBL3787058 0.84 CYP17A1 (0.47) CYP17A1
SCHEMBL3789501 0.81 CYP17A1 (0.69) CYP17A1
SCHEMBL12315334 0.80 CYP17A1 (0.45) CYP17A1
SCHEMBL15344908 0.79 CYP11B2 (0.47) CYP11B2MCHR2MCHR1
SCHEMBL3784053 0.79 CYP17A1 (0.47) CYP17A1
SCHEMBL3783802 0.79 SCN9A (0.53) CYP17A1
SCHEMBL3785033 0.79 MCHR1 (0.41) CYP17A1MCHR2MCHR1
SCHEMBL3784445 0.78 CYP17A1 (0.53) CYP17A1
SCHEMBL3783011 0.78 CYP17A1 (0.54) CYP17A1CYP11B2
SCHEMBL3787124 0.78 CYP17A1 (0.51) CYP17A1

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 19 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 claimed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US claimed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP claimed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US claimed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 US claimed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
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-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP disclosed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 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
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 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 CYP17A1 1/4885CYP11B2 21/4885MCHR2 3146/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 CYP17A1 1/4885CYP11B2 21/4885MCHR2 3146/4885

“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.