SCHEMBL954571

SCHEMBL954571

CC(C)c1cc(OC2CCN(C)C2)ccc1-c1cccc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.64
NOS1 P29475 7/20 0.64
NOS2 P35228 7/20 0.64
SOS1 Q07889 2/20 0.41
USP2 O75604 1/20 0.41
USP1 O94782 1/20 0.41
USP8 P40818 1/20 0.41
OTUB1 Q96FW1 1/20 0.41
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
CHEK2 O96017 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL221052 1.00 NOS3 (0.64) NOS3NOS1NOS2SOS1USP2
SCHEMBL220425 0.95 NOS3 (0.56) NOS3NOS1NOS2SOS1CDK2
SCHEMBL222403 0.93 NOS3 (0.54) NOS3NOS1NOS2SOS1USP2
SCHEMBL4563531 0.90 NOS3 (0.53) NOS3NOS1NOS2SOS1USP2
SCHEMBL422148 0.86 NOS3 (0.47) NOS3NOS1NOS2SOS1USP2
SCHEMBL6584972 0.84 NOS3 (0.62) NOS3NOS1NOS2USP2USP1
SCHEMBL221344 0.84 NOS1 (0.65) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL956395 0.82 NOS3 (0.60) NOS3NOS1NOS2USP2USP1
SCHEMBL221743 0.81 PRKCZ (0.45) NOS3NOS1NOS2SOS1
SCHEMBL8082215 0.79 NOS1 (0.61) NOS3NOS1NOS2CHEK2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US claimed
JP-2003523941-A 2003-08-12 JP claimed
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
EP-3152220-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-12 EP disclosed
WO-2015186114-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-10 WO disclosed
US-20110009496-A1 RESVERATROL FORMULATIONS SIRTRIS PHARMACEUTICAS, INC. (US) 2011-01-13 US disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 EP disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 US disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO 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 (5 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-20110009496-A1 RESVERATROL FORMULATIONS SIRT1, SIRT5, SIRT2 NOS3 1835/4885NOS1 728/4885NOS2 1029/4885
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 NOS3 157/4885NOS1 110/4885NOS2 192/4885
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 NOS3 4/4885NOS1 1/4885NOS2 3/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS3 2/4885NOS1 1/4885NOS2 6/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 NOS3 2496/4885NOS1 2484/4885NOS2 2428/4885

“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.