SCHEMBL6584518

SCHEMBL6584518

CC(C)c1cc(OCCN2CCCC2)ccc1-c1cccc(N2C(C)CCC2C)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
HTT P42858 2/20 0.44
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
NOS2 P35228 3/20 0.42
HRH3 Q9Y5N1 5/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL420438 0.90 NOS3 (0.46) KDM4EHTTNOS3NOS1NOS2
SCHEMBL4297654 0.84 MKNK1 (0.35)
SCHEMBL221361 0.82 NOS3 (0.62) KDM4EHTTNOS3NOS1NOS2
SCHEMBL27981874 0.76 KDM4E (0.55) KDM4EHTTHRH3ALDH1A1SMN1; SMN2
SCHEMBL4291036 0.73 NOS3 (0.46) KDM4ENOS3NOS1NOS2HRH3
SCHEMBL250384 0.69 NOS3 (0.60) KDM4ENOS3NOS1NOS2ALDH1A1
SCHEMBL4547941 0.69 KDM4E (0.78) KDM4EHTTHRH3ALDH1A1SMN1; SMN2
SCHEMBL6582950 0.68 NOS3 (0.62) KDM4EHTTNOS3NOS1NOS2
SCHEMBL218605 0.68 NOS3 (0.59) NOS3NOS1NOS2HRH3ADORA2A
SCHEMBL221954 0.67 NOS3 (0.58) NOS3NOS1NOS2HRH3ADORA2A

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 9 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
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
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

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-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 KDM4E 1582/4885HTT 334/4885NOS3 157/4885
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 KDM4E 2152/4885HTT 4672/4885NOS3 4/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 KDM4E 939/4885HTT 3978/4885NOS3 2/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 KDM4E 4095/4885HTT 274/4885NOS3 2496/4885

“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.