SCHEMBL3785205

SCHEMBL3785205

CC1CN(C)C(=O)N1c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.47
CYP11B1 P15538 2/20 0.47
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
HTT P42858 1/20 0.41
GRM1 Q13255 1/20 0.40
ELANE P08246 1/20 0.40
CHRNA7 P36544 1/20 0.40
HDAC1 Q13547 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL3780265 0.75 ADORA3 (0.37) CHRNB2CHRNA4
SCHEMBL23432778 0.74 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7
SCHEMBL24783587 0.74 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7
SCHEMBL22771222 0.73 CYP11B2 (0.47) CYP11B2CYP11B1ALDH1A1GAAMAPT
SCHEMBL27880230 0.73 ALDH1A1 (0.44) CYP11B2CYP11B1ALDH1A1GAAMAPT
SCHEMBL22771111 0.71 CYP11B2 (0.45) CYP11B2CYP11B1ALDH1A1GAAMAPT
SCHEMBL12315379 0.70 NAMPT (0.40) CYP11B2CYP11B1ALDH1A1GAAMAPT
SCHEMBL27774657 0.70 DRD2 (0.58) CYP11B2CYP11B1ALDH1A1GAAMAPT
SCHEMBL24782915 0.69 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7
SCHEMBL17297895 0.68 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7

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 21/4885CYP11B1 8/4885ALDH1A1 204/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 CYP11B2 21/4885CYP11B1 8/4885ALDH1A1 204/4885

“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.