SCHEMBL21452634

SCHEMBL21452634

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
MTNR1A P48039 6/20 0.35
MTNR1B P49286 6/20 0.35
ALDH1A1 P00352 1/20 0.34
ACACB O00763 10/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL21452520 0.83 MTNR1A (0.37) TRPV1MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL13452337 0.77 KISS1R (0.41) TRPV1MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL17560257 0.77 KDM4E (0.46) TRPV1MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL22314601 0.76 ACACB (0.33) MTNR1AMTNR1BALDH1A1ACACBALOX15
SCHEMBL23992087 0.73 ACACB (0.40) TRPV1MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL21452443 0.72 ACACB (0.36) TRPV1MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL24520557 0.72 ACACB (0.38) TRPV1MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL13645890 0.72 TAS1R3 (0.47) MTNR1AMTNR1BALDH1A1ACACBACACA
SCHEMBL18520329 0.72
SCHEMBL8435514 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 TRPV1 509/4885MTNR1A 276/4885MTNR1B 178/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B TRPV1 549/4885MTNR1A 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.