SCHEMBL6620168

SCHEMBL6620168

CC1=NC(C)(c2cccc(-c3ccc(CCCNC4CCc5ccccc5C4)cc3)n2)C=C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.51
SIGMAR1 Q99720 4/20 0.51
GRIN1 Q05586 3/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 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
SCHEMBL6622661 0.78 GRIN2B (0.63) GRIN2BSIGMAR1GRIN1POLBKMT2A
SCHEMBL7682331 0.77 GRIN2B (0.56) GRIN2BSIGMAR1GRIN1POLBKMT2A
SCHEMBL6620169 0.75 GRIN2B (0.53) GRIN2BSIGMAR1GRIN1POLBKMT2A
SCHEMBL6620465 0.72 GRIN2B (0.62) GRIN2BSIGMAR1GRIN1POLBKMT2A
SCHEMBL8096625 0.70 GRIN2B (1.00) GRIN2BSIGMAR1GRIN1
SCHEMBL6620329 0.68 TNF (0.38)
SCHEMBL6702591 0.68 NOS1 (0.51) SIGMAR1POLB
SCHEMBL6620349 0.68 NOS1 (0.35)
SCHEMBL6701134 0.66 DAGLA (0.39)
SCHEMBL8092549 0.64 GRIN2B (1.00) GRIN2BSIGMAR1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 GRIN2B 72/4885SIGMAR1 696/4885GRIN1 61/4885

“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.