SCHEMBL21452732

SCHEMBL21452732

CC(=O)NC[C@H](C)CNc1ccnc(-c2ccc(OC(F)(F)F)c(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.45
▸ AAK1 Q2M2I8 7/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ EPHX2 P34913 1/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ WNT3A P56704 1/20 0.35

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
SCHEMBL21434110 1.00 FAAH (0.45) FAAHAAK1CYP3A4EPHX2TRPA1
SCHEMBL21452513 1.00 FAAH (0.45) FAAHAAK1CYP3A4EPHX2TRPA1
SCHEMBL21434049 0.87 FAAH (0.44) FAAHAAK1CYP3A4EPHX2TRPA1
SCHEMBL21434040 0.85 FAAH (0.43) FAAHAAK1CYP3A4EPHX2TRPA1
SCHEMBL21434173 0.85 FAAH (0.43) FAAHAAK1CYP3A4EPHX2TRPA1
SCHEMBL21433997 0.85 FAAH (0.45) FAAHAAK1CYP3A4EPHX2TRPA1
SCHEMBL21433989 0.85 FAAH (0.64) FAAHTRPA1ABL1KMO
SCHEMBL21452605 0.85 FAAH (0.64) FAAHTRPA1ABL1KMO
SCHEMBL21452703 0.85 FAAH (0.64) FAAHTRPA1ABL1KMO
SCHEMBL21434082 0.84 FAAH (0.40) FAAHAAK1CYP3A4EPHX2TRPA1

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 FAAH 3070/4885AAK1 1298/4885CYP3A4 1952/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B FAAH 3070/4885AAK1 1298/4885CYP3A4 1952/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B FAAH 2955/4885AAK1 1215/4885CYP3A4 2577/4885

“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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