SCHEMBL6702591

SCHEMBL6702591

CC1=NC(C)(c2cccc(-c3ccc(-c4ccc(CN5CCN(CCc6ccccc6)CC5)cc4)cc3)n2)C=C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.51
NOS3 P29474 5/20 0.51
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
AKT1 P31749 1/20 0.39
CCR3 P51677 1/20 0.38
CHKA P35790 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6700244 0.83 DRD2 (0.41) POLB
SCHEMBL6699793 0.76 P2RY14 (0.41) AKT1
SCHEMBL6701134 0.76 DAGLA (0.39)
SCHEMBL6620349 0.76 NOS1 (0.35) NOS1NOS3CHRM2CHRM4
SCHEMBL6702633 0.75 NOS1 (0.88) NOS1NOS3CHRM2CHRM4HRH3
SCHEMBL6702595 0.75 NOS1 (0.58) NOS1NOS3CHRM2CHRM4HRH3
SCHEMBL6620329 0.72 TNF (0.38)
SCHEMBL6702593 0.72 NOS1 (0.54) NOS1NOS3CHRM2CHRM4HRH3
SCHEMBL6618161 0.69 NOS1 (1.00) NOS1NOS3CHRM2CHRM4SIGMAR1
SCHEMBL6620168 0.68 GRIN2B (0.51) SIGMAR1POLB

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 NOS1 1/4885NOS3 3/4885CHRM2 76/4885
US-20040142924-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885CHRM2 76/4885
US-20020103227-A1 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS3 3/4885CHRM2 76/4885

“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.