SCHEMBL3783146

SCHEMBL3783146

Cc1ccncc1N1CCCNC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PIM1 P11309 2/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PDE9A O76083 3/20 0.37
THRB P10828 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALOX5 P09917 1/20 0.35
CYP17A1 P05093 2/20 0.34
CRHR1 P34998 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL3781174 0.90 SCN9A (0.40) MAPTPARP1SMN1; SMN2PDE9ADDB1
SCHEMBL8306531 0.73 ALDH1A1 (0.51) MAPTPARP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7836366 0.73 ADRB2 (0.46) MAPTPARP1SMN1; SMN2ALDH1A1THRB
SCHEMBL4473728 0.72 MAPT (0.53) MAPTPARP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL19397290 0.72 PIM1 (0.45) PIM1ALDH1A1
SCHEMBL3783246 0.71 CHRNB2 (0.57) HTT
SCHEMBL3780264 0.71 KEAP1 (0.38) MAPTPDE9ACYP17A1CA12CA1
SCHEMBL3787747 0.71 OPRL1 (0.44) MAPTPDE9A
SCHEMBL18949716 0.71 MAPT (0.47) MAPTPIM1PIM3PIM2ALDH1A1
SCHEMBL23124420 0.70 ADRB1 (0.58) MAPT

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 5 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
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-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 MAPT 3491/4885PARP1 2751/4885SMN1; SMN2 4755/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 MAPT 3491/4885PARP1 2751/4885SMN1; SMN2 4755/4885

“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.