SCHEMBL6619794

SCHEMBL6619794

Cc1cc(-c2cccc(N)n2)ccc1CCN1CCN(CC(=O)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.72
NOS3 P29474 7/20 0.72
CHRM2 P08172 1/20 0.72
CHRM4 P08173 1/20 0.72
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SRC P12931 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KDR P35968 3/20 0.37
MGLL Q99685 1/20 0.37
MAPT P10636 1/20 0.36
CTSD P07339 1/20 0.36
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL8450822 0.92 NOS1 (0.60) NOS1NOS3CHRM2CHRM4SLC6A4
SCHEMBL6621035 0.89 NOS1 (0.72) NOS1NOS3CHRM2CHRM4SLC6A4
SCHEMBL6623791 0.88 NOS1 (0.68) NOS1NOS3CHRM2CHRM4SLC6A4
SCHEMBL6620545 0.84 NOS1 (1.00) NOS1NOS3CHRM2CHRM4SLC6A4
SCHEMBL6620835 0.84 NOS1 (0.74) NOS1NOS3CHRM2CHRM4
SCHEMBL6620388 0.83 NOS1 (0.74) NOS1NOS3CHRM2CHRM4ALDH1A1
SCHEMBL27470928 0.82 NOS1 (0.50) NOS1NOS3CHRM2CHRM4ALDH1A1
SCHEMBL8575520 0.82 NOS1 (0.62) NOS1NOS3CHRM2CHRM4SLC6A4
SCHEMBL27594367 0.81 NOS1 (0.53) NOS1NOS3CHRM2CHRM4ALDH1A1
SCHEMBL6623594 0.81 NOS1 (0.53) NOS1NOS3CHRM2CHRM4ALDH1A1

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 10 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
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
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.