SCHEMBL6707783

SCHEMBL6707783

Cc1c(CC2CCCCC2)c(-c2ccccc2)cc(-c2cccc(N)n2)c1NCCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PLAU P00749 1/20 0.33
MAPK8 P45983 1/20 0.33
LIMK1 P53667 1/20 0.33
MST1R Q04912 1/20 0.33
MAPK14 Q16539 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ALK Q9UM73 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
EPHX2 P34913 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
HRH1 P35367 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL6707781 0.73 CTSS (0.34) NOS3NOS1CTSSCTSKCCNT1
SCHEMBL6694500 0.64 NOS1 (0.43) NOS3NOS1ASIC3NOS2MAPT
SCHEMBL6274124 0.62 NOS3 (0.38) NOS3NOS1PLAUMAPK8LIMK1
SCHEMBL6618736 0.60 NOS1 (0.64) NOS3NOS1ASIC3BRS3
SCHEMBL6622031 0.60 NOS1 (0.47) NOS3NOS1ASIC3BRS3
SCHEMBL6699594 0.60 MAP4K4 (0.44) NOS3NOS1ASIC3
SCHEMBL901874 0.58 ASIC3 (0.47) NOS3NOS1ASIC3HRH4
SCHEMBL6622036 0.58 OPRM1 (0.49) NOS3NOS1OPRM1OPRD1OPRK1
SCHEMBL6622090 0.58 NOS1 (0.60) NOS3NOS1ASIC3BCHEMAPT
SCHEMBL6624059 0.58 KCNH2 (0.45) NOS3NOS1NOS2MEN1KMT2A

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 11 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
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP claimed
JP-2003523941-A 2003-08-12 JP 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
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP disclosed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US disclosed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US disclosed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 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-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS3 3/4885NOS1 1/4885CTSS 3816/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS3 3/4885NOS1 1/4885CTSS 3816/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS3 2/4885NOS1 1/4885CTSS 2618/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS3 3/4885NOS1 1/4885CTSS 3816/4885

“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.