SCHEMBL422148

SCHEMBL422148

CC(C)c1cc(OC2CCN(C)C2)ccc1-c1cccc(NNc2cccc(-c3ccc(OC4CCN(C)C4)cc3C(C)C)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
SOS1 Q07889 3/20 0.42
USP2 O75604 1/20 0.40
USP1 O94782 1/20 0.40
USP8 P40818 1/20 0.40
OTUB1 Q96FW1 1/20 0.40
ADORA2A P29274 4/20 0.39
CHEK1 O14757 2/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
ACACB O00763 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL4563534 0.90 NOS3 (0.40) NOS3NOS1NOS2SOS1USP2
SCHEMBL221052 0.86 NOS3 (0.64) NOS3NOS1NOS2SOS1USP2
SCHEMBL954571 0.86 NOS3 (0.64) NOS3NOS1NOS2SOS1USP2
SCHEMBL220425 0.81 NOS3 (0.56) NOS3NOS1NOS2SOS1
SCHEMBL222403 0.79 NOS3 (0.54) NOS3NOS1NOS2SOS1USP2
SCHEMBL4563531 0.78 NOS3 (0.53) NOS3NOS1NOS2SOS1USP2
SCHEMBL27981552 0.74 SMN1; SMN2 (0.39) NOS3NOS1NOS2SOS1
SCHEMBL5140700 0.74 CHEK1 (0.47) NOS3NOS1NOS2ADORA2ACHEK1
SCHEMBL16241884 0.73 CHEK1 (0.48) NOS3NOS1NOS2ADORA2ACHEK1
SCHEMBL28814070 0.73 NOS3 (0.32) NOS3NOS1NOS2SOS1USP2

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-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-11-26 US disclosed
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-06 US disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20070248590-A1 Modulators of CDC2-like kinases (CLKS) and methods of use thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2007-10-25 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 (4 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-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NNT, CS, ME2 NOS3 1327/4885NOS1 1659/4885NOS2 1778/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 NOS3 1327/4885NOS1 1659/4885NOS2 1778/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NOS3 349/4885NOS1 357/4885NOS2 422/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NOS3 349/4885NOS1 357/4885NOS2 422/4885

“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.