SCHEMBL21452443

SCHEMBL21452443

CC(=O)NC(C)CCNC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.36
MTNR1A P48039 6/20 0.35
MTNR1B P49286 6/20 0.35
ALDH1A1 P00352 1/20 0.34
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL23992087 0.78 ACACB (0.40) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL17560257 0.77 KDM4E (0.46) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL13452337 0.77 KISS1R (0.41) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL21452520 0.75 MTNR1A (0.37) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL13645963 0.73 ACACB (0.36) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL21452634 0.72 TRPV1 (0.37) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL24311583 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL10577149 0.72 KCNH3 (0.38) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL24520557 0.72 ACACB (0.38) ACACBMTNR1AMTNR1BALDH1A1TRPV1
SCHEMBL18520329 0.72

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 ACACB 3766/4885MTNR1A 276/4885MTNR1B 178/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ACACB 3766/4885MTNR1A 276/4885MTNR1B 178/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B ACACB 3734/4885MTNR1A 275/4885MTNR1B 171/4885

“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.