SCHEMBL21452643

SCHEMBL21452643

CC(=O)N[C@H]1CCN(c2ccnc(-c3ccc(OC(F)(F)F)c(F)c3)c2)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ TRPA1 O75762 2/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ EPHX2 P34913 3/20 0.37
▸ CCNC P24863 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ ACACB O00763 1/20 0.37
▸ SMPD3 Q9NY59 2/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ AAK1 Q2M2I8 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ NTRK1 P04629 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
SCHEMBL21433945 1.00 ABL1 (0.38) ABL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL21433941 1.00 ABL1 (0.38) ABL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL21452391 0.91 SSTR1 (0.41) ABL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL21452717 0.91 SSTR1 (0.41) ABL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL21433976 0.91 SSTR4 (0.42) ABL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL21433978 0.91 SSTR4 (0.42) ABL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL21452785 0.91 SSTR1 (0.41) ABL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL21434088 0.91 SSTR4 (0.42) ABL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL21434042 0.91 SSTR1 (0.41) ABL1CHRM2CHRM5CHRM1CHRM3
SCHEMBL21452611 0.91 SSTR4 (0.42) ABL1CHRM2CHRM5CHRM1CHRM3

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 3 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
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 ABL1 733/4885CHRM2 699/4885CHRM5 454/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ABL1 733/4885CHRM2 699/4885CHRM5 454/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B ABL1 739/4885CHRM2 720/4885CHRM5 473/4885

“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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