SCHEMBL3780261

SCHEMBL3780261

Cc1ccncc1N1C(=O)NCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 6/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
AR P10275 2/20 0.35
SIRT3 Q9NTG7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
GRM5 P41594 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL3787747 0.75 OPRL1 (0.44) PDE9AKEAP1NFE2L2ARARG1
SCHEMBL3785201 0.74 AR (0.55) ARMAPTCYP11B1CYP11B2
SCHEMBL27897075 0.72 PDE9A (0.37) PDE9AKEAP1NFE2L2ARSIRT3
SCHEMBL8306096 0.69 MAPT (0.42) MAPT
SCHEMBL3781174 0.69 SCN9A (0.40) PDE9AMAPTCA12CA1CA2
SCHEMBL31655314 0.69 POLB (0.44) PDE9AAROPRM1OPRL1MAPT
SCHEMBL18949756 0.67 MAPT (0.54) KEAP1NFE2L2SIRT3TDP1ARG1
SCHEMBL6224475 0.67 MMP13 (0.40) TDP1MAPTGRM5
SCHEMBL3783147 0.67 PDE9A (0.35) PDE9AKEAP1NFE2L2SIRT3TDP1
SCHEMBL3783146 0.67 MAPT (0.39) PDE9AMAPTCA12CA1CA2

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
CN-102803250-B 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2014-04-16 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 PDE9A 1168/4885KEAP1 507/4885NFE2L2 1391/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 PDE9A 1168/4885KEAP1 507/4885NFE2L2 1391/4885

“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.