SCHEMBL6621035

SCHEMBL6621035

Nc1cccc(-c2ccc(CCN3CCN(CC(=O)c4ccccc4)CC3)c(F)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.72
NOS3 P29474 6/20 0.72
CHRM2 P08172 1/20 0.72
CHRM4 P08173 1/20 0.72
HTR2A P28223 10/20 0.42
HTR2C P28335 9/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 3/20 0.39
KCNH2 Q12809 2/20 0.39
HTR1A P08908 1/20 0.39
AVPR1B P47901 1/20 0.38

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
SCHEMBL8575520 0.93 NOS1 (0.62) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6619794 0.89 NOS1 (0.72) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6623791 0.86 NOS1 (0.68) NOS1NOS3CHRM2CHRM4SLC6A4
SCHEMBL8450822 0.84 NOS1 (0.60) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620545 0.84 NOS1 (1.00) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620280 0.83 NOS1 (0.74) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620266 0.83 NOS1 (0.73) NOS1NOS3CHRM2CHRM4AVPR1B
SCHEMBL27471830 0.82 NOS1 (0.49) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL7157648 0.82 NOS1 (0.58) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL27475680 0.81 NOS1 (0.53) NOS1NOS3CHRM2CHRM4HTR2A

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 12 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
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
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
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.