SCHEMBL6618841

SCHEMBL6618841

COc1ccc(CC(=O)NC2CCN(CCc3ccc(-c4cccc(N)n4)cc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.54
NOS3 P29474 5/20 0.54
SIGMAR1 Q99720 4/20 0.52
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
MCHR1 Q99705 2/20 0.47
CCR5 P51681 1/20 0.46
EPHX2 P34913 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
AVPR1B P47901 1/20 0.44
KCNH2 Q12809 2/20 0.43
CCR2 P41597 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL7156848 0.92 SIGMAR1 (0.55) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6618371 0.90 NOS1 (0.59) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6620343 0.90 NOS1 (0.65) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6618321 0.88 NOS1 (0.55) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL8451422 0.84 SIGMAR1 (0.55) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6621169 0.84 NOS1 (0.59) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL27594362 0.83 NOS1 (0.55) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6617737 0.82 NOS1 (0.56) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6617508 0.82 SIGMAR1 (0.55) NOS1NOS3SIGMAR1CHRM2CHRM4
SCHEMBL6619969 0.81 NOS1 (0.57) NOS1NOS3SIGMAR1CHRM2CHRM4

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
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
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
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

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 2/4885SIGMAR1 696/4885
US-20020151572-A1 PHARMACEUTICAL USES FOR NOS INHIBITORS NOS1, NOS3, NOS2 NOS1 1/4885NOS3 2/4885SIGMAR1 37/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS1 1/4885NOS3 2/4885SIGMAR1 268/4885

“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.