SCHEMBL6703574

SCHEMBL6703574

Nc1cccc(-c2ccc(C(O)CN3CCN(CCc4ccccc4)CC3)cc2OC2CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 15/20 0.48
NOS3 P29474 14/20 0.48
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
NOS2 P35228 9/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CHRM3 P20309 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
SCHEMBL6700156 0.87 NOS1 (0.58) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL6700153 0.87 NOS1 (0.48) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL6699927 0.86 NOS1 (0.47) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL6699930 0.86 NOS1 (0.57) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL6701981 0.85 NOS1 (0.51) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL27516082 0.85 NOS3 (0.38) NOS1NOS3NOS2KDM4E
SCHEMBL6703557 0.85 NOS1 (0.48) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL6703560 0.85 NOS1 (0.58) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL6700692 0.84 NOS1 (0.52) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL6702757 0.83 NOS1 (0.49) NOS1NOS3CHRM2CHRM4NOS2

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
CN-1617743-A New pharmaceutical combinations for nos inhibitors PFIZER PROD INC (US) 2005-05-18 CN claimed
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-1007512-B1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PROD INC (US) 2002-04-03 EP 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
CN-1617743-A New pharmaceutical combinations for nos inhibitors PFIZER PROD INC (US) 2005-05-18 CN disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS LOWE JOHN A (US) 2002-10-17 US disclosed
EP-1007512-B1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PROD INC (US) 2002-04-03 EP disclosed
US-6362195-B1 INHIBITOR OF NITRIC OXIDE SYNTHASE; CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-03-26 US disclosed
US-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines LOWE JOHN ADAMS (US) 2002-02-21 US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
CN-1323211-A New pharmaceutical use of NOS inhibitors PFIZER PROD INC (US) 2001-11-21 CN disclosed
EP-1109556-A2 NEW PHARMACEUTICAL USES FOR NOS INHIBITORS Pfizer Products Inc. (US) 2001-06-27 EP 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

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-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines NOS3, NOS2, PNMT NOS1 4/4885NOS3 1/4885CHRM2 27/4885
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS NOS1, NOS3, NOS2 NOS1 1/4885NOS3 2/4885CHRM2 284/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885CHRM2 762/4885

“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.