SCHEMBL6621763

SCHEMBL6621763

Nc1cccc(-c2ccc(CCN3CCN(CC(N)c4ccccc4)CC3)cc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 14/20 0.53
NOS3 P29474 13/20 0.53
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
NOS2 P35228 7/20 0.40
MC4R P32245 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
AVPR1B P47901 1/20 0.36

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
SCHEMBL6617566 0.88 NOS1 (0.53) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6621671 0.88 NOS1 (0.68) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6618478 0.86 NOS1 (0.69) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6619268 0.86 NOS1 (0.51) NOS1NOS3CHRM2CHRM4NOS2
SCHEMBL6618730 0.83 NOS1 (0.76) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6621871 0.75 NOS1 (0.68) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6619303 0.74 NOS1 (0.71) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL7483828 0.72 NOS1 (0.64) NOS1NOS3CHRM2CHRM4SIGMAR1
SCHEMBL6620008 0.72 NOS1 (0.74) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6622997 0.72 NOS1 (0.67) 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
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 2/4885CHRM2 151/4885
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.