SCHEMBL6699207

SCHEMBL6699207

Cc1cc(-c2cccc(-c3ccc(C4CCNCC4)cc3)n2)c(C)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
TLR9 Q9NR96 8/20 0.41
TLR8 Q9NR97 8/20 0.41
TLR7 Q9NYK1 7/20 0.41
TNKS O95271 4/20 0.40
TNKS2 Q9H2K2 4/20 0.40
PARP1 P09874 3/20 0.40
KCNH2 Q12809 2/20 0.40
ACVR1 Q04771 2/20 0.40
TGFBR1 P36897 1/20 0.40
PARP2 Q9UGN5 1/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
QDPR P09417 1/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVR1B P36896 1/20 0.37
ACVRL1 P37023 1/20 0.37

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
SCHEMBL6703718 0.93 PARP1 (0.41) PARP1PARP2
SCHEMBL6700238 0.80 DRD2 (0.53) TLR9TLR8TLR7
SCHEMBL6702632 0.79 SLC6A2 (0.36)
SCHEMBL6696951 0.76 RAB9A (0.49) TNKSTNKS2PARP2
SCHEMBL6703069 0.75 DRD2 (0.48) HTR2CKCNH2
SCHEMBL6703457 0.74 RARG (0.38) SIGMAR1
SCHEMBL6702661 0.74 TRPV6 (0.37) SIGMAR1
SCHEMBL6695621 0.73 ASIC3 (0.50) HTR2CTNKSTNKS2PARP1PARP2
SCHEMBL6618754 0.73 RARG (0.37)
SCHEMBL6621300 0.73 RARG (0.56)

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 HTR2C 253/4885TLR9 3294/4885TLR8 3208/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 HTR2C 253/4885TLR9 3294/4885TLR8 3208/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 HTR2C 253/4885TLR9 3294/4885TLR8 3208/4885

“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.