SCHEMBL21434091

SCHEMBL21434091

NCCC(=O)NC1CCN(c2cc(-c3ccc(OC(F)(F)F)c(F)c3)ncn2)CC1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.43
▸ FAAH O00519 1/20 0.42
▸ DPP4 P27487 4/20 0.40
▸ ITGB2 P05107 6/20 0.39
▸ ICAM1 P05362 6/20 0.39
▸ ITGAL P20701 6/20 0.39
▸ SSTR1 P30872 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ ABL1 P00519 2/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL21434092 1.00 TRPA1 (0.43) TRPA1FAAHDPP4ITGB2ICAM1
SCHEMBL21452642 1.00 TRPA1 (0.43) TRPA1FAAHDPP4ITGB2ICAM1
SCHEMBL21452347 0.88 ITGB2 (0.46) TRPA1FAAHDPP4ITGB2ICAM1
SCHEMBL21433982 0.88 ITGB2 (0.46) TRPA1FAAHDPP4ITGB2ICAM1
SCHEMBL21434008 0.88 ITGB2 (0.46) TRPA1FAAHDPP4ITGB2ICAM1
SCHEMBL21433985 0.88 ITGB2 (0.46) TRPA1FAAHDPP4ITGB2ICAM1
SCHEMBL21452604 0.88 ITGB2 (0.46) TRPA1FAAHDPP4ITGB2ICAM1
SCHEMBL21433947 0.88 FAAH (0.45) TRPA1FAAHDPP4ITGB2ICAM1
SCHEMBL21434131 0.81 ITGB2 (0.45) TRPA1DPP4ITGB2ICAM1ITGAL
SCHEMBL21434105 0.81 EPHX2 (0.44) TRPA1FAAHITGB2ICAM1ITGAL

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 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-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — 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 TRPA1 790/4885FAAH 3070/4885DPP4 2991/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B TRPA1 790/4885FAAH 3070/4885DPP4 2991/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B TRPA1 875/4885FAAH 2955/4885DPP4 3472/4885

“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.

Send feedback