SCHEMBL6701144

SCHEMBL6701144

CC1=NC(C)(c2cccc(-c3ccc(C(Cc4ccccc4)C4CCCCN4)cc3)n2)C=C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.50
SLC6A4 P31645 9/20 0.50
SLC6A3 Q01959 9/20 0.50
CYP2D6 P10635 3/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6696896 0.78 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL6701134 0.71 DAGLA (0.39)
SCHEMBL6699793 0.67 P2RY14 (0.41)
SCHEMBL6704141 0.67 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL6620329 0.66 TNF (0.38)
SCHEMBL6621299 0.66 RARA (0.48) ALDH1A1
SCHEMBL6700802 0.64 KARS1 (0.30) MAPK1
SCHEMBL6620168 0.63 GRIN2B (0.51) KMT2A
SCHEMBL10326624 0.59 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL10326911 0.59 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1

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 SLC6A2 176/4885SLC6A4 380/4885SLC6A3 326/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 SLC6A2 176/4885SLC6A4 380/4885SLC6A3 326/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 SLC6A2 176/4885SLC6A4 380/4885SLC6A3 326/4885

“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.