SCHEMBL21433947

SCHEMBL21433947

NCCC(=O)NC1CCN(c2cc(-c3ccc(OC(F)(F)F)c(F)c3)ncn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.45
▸ EPHX2 P34913 9/20 0.44
▸ TRPA1 O75762 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ ITGB2 P05107 3/20 0.42
▸ ICAM1 P05362 3/20 0.42
▸ ITGAL P20701 3/20 0.42
▸ KMO O15229 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ CHRM4 P08173 1/20 0.40
▸ SSTR1 P30872 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ CACNA1H O95180 1/20 0.39

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
SCHEMBL21434105 0.93 EPHX2 (0.44) FAAHEPHX2TRPA1ITGB2ICAM1
SCHEMBL21434087 0.90 EPHX2 (0.49) FAAHEPHX2TRPA1ITGB2ICAM1
SCHEMBL21433936 0.90 FAAH (0.42) FAAHEPHX2TRPA1ITGB2ICAM1
SCHEMBL21434171 0.88 EPHX2 (0.47) FAAHEPHX2TRPA1ITGB2ICAM1
SCHEMBL21434091 0.88 TRPA1 (0.43) FAAHTRPA1ITGB2ICAM1ITGAL
SCHEMBL21434092 0.88 TRPA1 (0.43) FAAHTRPA1ITGB2ICAM1ITGAL
SCHEMBL21452642 0.88 TRPA1 (0.43) FAAHTRPA1ITGB2ICAM1ITGAL
SCHEMBL21434000 0.87 ITGB2 (0.51) FAAHEPHX2TRPA1ITGB2ICAM1
SCHEMBL21434100 0.86 EPHX2 (0.48) FAAHEPHX2TRPA1ITGB2ICAM1
SCHEMBL21433934 0.86 EPHX2 (0.45) FAAHEPHX2TRPA1ITGB2ICAM1

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 13 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 claimed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 — — EP claimed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO claimed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — US claimed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
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
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US disclosed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 — — EP disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO 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
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 FAAH 3070/4885EPHX2 2087/4885TRPA1 790/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B FAAH 3070/4885EPHX2 2087/4885TRPA1 790/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B FAAH 2955/4885EPHX2 1966/4885TRPA1 875/4885

“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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