SCHEMBL21452648

SCHEMBL21452648

CC(=O)N1CCN(C(C)(C)CCC(C)(C)N2CCC3(CCC(=O)N3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MGLL Q99685 1/20 0.33
GAA P10253 2/20 0.32
GFER P55789 1/20 0.32
PDCD1LG2 Q9BQ51 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CYP1A2 P05177 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL30174827 0.82 CYP11B1 (0.43) CYP11B1CYP11B2MGLLGAAGFER
SCHEMBL21169218 0.76 CYP1A2 (0.38) GFERHSP90AA1HSP90AB1CYP1A2TDP1
SCHEMBL18806108 0.74 CYP11B1 (0.43) CYP11B1CYP11B2MGLLPDCD1LG2CD274
SCHEMBL23992153 0.73
SCHEMBL23992241 0.72 MGLL (0.32) CYP11B1CYP11B2MGLL
SCHEMBL19226546 0.71 CYP1A2 (0.42) GAAHSP90AA1HSP90AB1CYP1A2TDP1
SCHEMBL19223939 0.69 CYP1A2 (0.43) GFERHSP90AA1HSP90AB1CYP1A2TDP1
SCHEMBL15447211 0.69 DDB1 (0.47)
SCHEMBL21201884 0.68 CYP11B1 (0.42) CYP11B1CYP11B2MGLLPDCD1LG2CD274
SCHEMBL24027743 0.68 CYP1A2 (0.42) GFERHSP90AA1HSP90AB1CYP1A2TDP1

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 CYP11B1 2280/4885CYP11B2 2300/4885MGLL 4781/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B CYP11B1 2591/4885CYP11B2 2549/4885MGLL 4789/4885

“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.