SCHEMBL21452287

SCHEMBL21452287

CC(=O)NCC1CN(C(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.44
ATM Q13315 1/20 0.43
MTNR1A P48039 7/20 0.41
MTNR1B P49286 7/20 0.41
NPSR1 Q6W5P4 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
FUCA1 P04066 1/20 0.35
NAMPT P43490 1/20 0.34
GLA P06280 1/20 0.33
ENGASE Q8NFI3 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL13212400 0.86 CACNA1H (0.43) CACNA1HATMMTNR1AMTNR1BNPSR1
SCHEMBL10205113 0.83 CACNA1H (0.42) CACNA1HMTNR1AMTNR1BNPSR1
SCHEMBL13212946 0.83 CACNA1H (0.42) CACNA1HMTNR1AMTNR1BNPSR1
SCHEMBL10205059 0.81 CACNA1H (0.46) CACNA1HMTNR1AMTNR1BNPSR1TDP1
SCHEMBL14805836 0.80 CTSL (0.50) CACNA1HATMMTNR1AMTNR1BNAMPT
SCHEMBL14805841 0.80 MTNR1A (0.36) CACNA1HATMMTNR1ANAMPTCTSL
SCHEMBL16745437 0.79 NAMPT (0.46) ATMNAMPTTDP1
SCHEMBL15841168 0.78 MTNR1A (0.47) CACNA1HMTNR1AMTNR1BNPSR1HDAC3
SCHEMBL14805834 0.78 CTSL (0.55) CACNA1HCTSLCTSBCTSK
SCHEMBL14805865 0.78 CTSL (0.41) CACNA1HATMNAMPTCTSLCTSB

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 CACNA1H 714/4885ATM 3187/4885MTNR1A 276/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CACNA1H 714/4885ATM 3187/4885MTNR1A 276/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B CACNA1H 561/4885ATM 3182/4885MTNR1A 275/4885

“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.