SCHEMBL6699264

SCHEMBL6699264

Cc1cc(-c2cccc(-c3ccc(CC4CCCC4=O)cc3)n2)c(C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.42
PTGS1 P23219 11/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
RARG P13631 1/20 0.32

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
SCHEMBL6620024 0.73 ABCC4 (0.42) PTGS1HTTKMT2ARARG
SCHEMBL6701137 0.73 SPHK1 (0.42)
SCHEMBL6620332 0.72 TNF (0.40) KMT2ARARG
SCHEMBL6702632 0.71 SLC6A2 (0.36) RARG
SCHEMBL6699268 0.71 PTGS2 (0.38) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL6703718 0.70 PARP1 (0.41)
SCHEMBL6696951 0.70 RAB9A (0.49) KMT2ARARG
SCHEMBL6701105 0.70 ALDH1A1 (0.43) HTTKMT2ARARG
SCHEMBL6699207 0.70 HTR2C (0.43)
SCHEMBL6618754 0.70 RARG (0.37) KMT2ARARG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors PFIZER INC 2004-07-22 US disclosed
EP-0946512-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER (US) 2003-10-08 EP disclosed
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-08-01 US disclosed
US-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors LOWE JOHN A (US) 2002-03-14 US disclosed
US-6235750-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC 2001-05-22 US disclosed
EP-0946512-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998024766-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES USEFUL AS NOS INHIBITORS PFIZER INC. (US) 1998-06-11 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-20020032191-A1 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 PTGS2 27/4885PTGS1 20/4885OPRK1 115/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 PTGS2 27/4885PTGS1 20/4885OPRK1 115/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 PTGS2 27/4885PTGS1 20/4885OPRK1 115/4885

“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.