SCHEMBL6622997

SCHEMBL6622997

COc1cc(CCN2CCN(CC(C)C)CC2)ccc1-c1cccc(N)n1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 14/20 0.67
NOS3 P29474 10/20 0.67
NOS2 P35228 5/20 0.46
SIGMAR1 Q99720 3/20 0.43
EBP Q15125 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL7483828 0.89 NOS1 (0.64) NOS1NOS3SIGMAR1EBPTMEM97
SCHEMBL6619268 0.88 NOS1 (0.51) NOS1NOS3NOS2SIGMAR1EBP
SCHEMBL6619303 0.86 NOS1 (0.71) NOS1NOS3NOS2SIGMAR1ADRA1D
SCHEMBL6618478 0.85 NOS1 (0.69) NOS1NOS3NOS2CHRM2CHRM4
SCHEMBL6700030 0.82 NOS1 (0.58) NOS1NOS3NOS2SIGMAR1EBP
SCHEMBL6699624 0.82 NOS1 (0.60) NOS1NOS3NOS2SIGMAR1EBP
SCHEMBL6703642 0.81 NOS1 (0.56) NOS1NOS3NOS2SIGMAR1CHRM2
SCHEMBL6617891 0.80 NOS1 (1.00) NOS1NOS3NOS2SIGMAR1CHRM2
SCHEMBL6698798 0.80 NOS1 (0.55) NOS1NOS3NOS2SIGMAR1EBP
SCHEMBL7483824 0.80 NOS1 (0.53) NOS1NOS3NOS2SIGMAR1EBP

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 17 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
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-1471055-A1 6-phenylpyridyl-2-amine derivatives PFIZER INC. (US) 2004-10-27 EP disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS LOWE JOHN A (US) 2002-10-17 US disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
EP-1109556-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS Pfizer Products Inc. (US) 2001-06-27 EP disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO disclosed
WO-2000009130-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 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 (3 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 NOS1 3/4885NOS3 2/4885NOS2 1/4885
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS NOS1, NOS3, NOS2 NOS1 1/4885NOS3 2/4885NOS2 3/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885NOS2 6/4885

“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.