SCHEMBL21452702

SCHEMBL21452702

CC(=O)N1CCN(c2cc(-c3ccc(OC(F)(F)F)c(F)c3)ncn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 5/20 0.52
▸ ICAM1 P05362 5/20 0.52
▸ ITGAL P20701 5/20 0.52
▸ LRRK2 Q5S007 11/20 0.45
▸ KMO O15229 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ TRPA1 O75762 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL21434143 0.88 FAAH (0.42) ITGB2ICAM1ITGALKMOFAAH
SCHEMBL21433914 0.87 ITGB2 (0.47) ITGB2ICAM1ITGALLRRK2KMO
SCHEMBL21434000 0.84 ITGB2 (0.51) ITGB2ICAM1ITGALKMOFAAH
SCHEMBL21434085 0.84 EPHX2 (0.44) ITGB2ICAM1ITGALKMOFAAH
SCHEMBL21434147 0.84 NPC1 (0.53) ITGB2ICAM1ITGALKMOFAAH
SCHEMBL21433974 0.84 ITGB2 (0.54) ITGB2ICAM1ITGALKMOFAAH
SCHEMBL21452690 0.84 CHEK1 (0.44) ITGB2ICAM1ITGALKMO
SCHEMBL21434171 0.81 EPHX2 (0.47) ITGB2ICAM1ITGALKMOFAAH
SCHEMBL21434051 0.81 ITGB2 (0.49) ITGB2ICAM1ITGALKMOFAAH
SCHEMBL21434102 0.81 DPP4 (0.48) ITGB2ICAM1ITGALLRRK2KMO

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
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — 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 (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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ITGB2 1763/4885ICAM1 4616/4885ITGAL 1975/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ITGB2 1763/4885ICAM1 4616/4885ITGAL 1975/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B ITGB2 1693/4885ICAM1 4534/4885ITGAL 2140/4885

“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.

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