SCHEMBL21433936

SCHEMBL21433936

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ EPHX2 P34913 9/20 0.41
▸ KMO O15229 1/20 0.40
▸ CHRM4 P08173 3/20 0.39
▸ ITGB2 P05107 3/20 0.38
▸ ICAM1 P05362 3/20 0.38
▸ ITGAL P20701 3/20 0.38
▸ SSTR1 P30872 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ CACNA1H O95180 1/20 0.37

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
SCHEMBL21433947 0.90 FAAH (0.45) FAAHTRPA1EPHX2KMOCHRM4
SCHEMBL21434105 0.90 EPHX2 (0.44) FAAHTRPA1EPHX2KMOITGB2
SCHEMBL21434171 0.89 EPHX2 (0.47) FAAHTRPA1EPHX2KMOITGB2
SCHEMBL21434087 0.87 EPHX2 (0.49) FAAHTRPA1EPHX2KMOITGB2
SCHEMBL21434000 0.84 ITGB2 (0.51) FAAHTRPA1EPHX2KMOITGB2
SCHEMBL21434100 0.84 EPHX2 (0.48) FAAHTRPA1EPHX2KMOCHRM4
SCHEMBL21433934 0.83 EPHX2 (0.45) FAAHTRPA1EPHX2KMOITGB2
SCHEMBL21433925 0.81 ITGB2 (0.48) FAAHTRPA1EPHX2ITGB2ICAM1
SCHEMBL21434160 0.81 FAAH (0.46) FAAHTRPA1EPHX2KMOITGB2
SCHEMBL21434028 0.80 CHRM2 (0.47) FAAHTRPA1CHRM4ITGB2ICAM1

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 5 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
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
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 3070/4885TRPA1 790/4885EPHX2 2087/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B FAAH 3070/4885TRPA1 790/4885EPHX2 2087/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B FAAH 2955/4885TRPA1 875/4885EPHX2 1966/4885

“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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