SCHEMBL22958823

SCHEMBL22958823

CC(C)C(=O)N1CCC2(CCC(N3CCC4(CCNC4=O)CC3)NC2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.34
RORC P51449 1/20 0.33
CALCRL Q16602 1/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
SPR P35270 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CCNC P24863 4/20 0.31
CDK8 P49336 4/20 0.31
CRBN Q96SW2 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 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
SCHEMBL18347966 0.86 OTUD7B (0.43) OTUD7BCALCRLSPRCCNCCDK8
SCHEMBL21225565 0.78 CRBN (0.35) OTUD7BMTNR1AMTNR1BSPRL3MBTL1
SCHEMBL24339013 0.72 OTUD7B (0.38) OTUD7BSPRCCNCCDK8CRBN
SCHEMBL19852843 0.70 OTUD7B (0.42) OTUD7BRORCCRBNCHRNB2CHRNA3
SCHEMBL18711886 0.70 OTUD7B (0.46) OTUD7BSPRCCNCCDK8
SCHEMBL13207170 0.69 JAK2 (0.40) OTUD7BL3MBTL1CCNCCDK8
SCHEMBL4072997 0.68 OTUD7B (0.47) OTUD7BCALCRLSPRCCNCCDK8
SCHEMBL24339014 0.68 OTUD7B (0.39) OTUD7BCALCRLSPRCCNCCDK8
SCHEMBL24339054 0.68 OTUD7B (0.39) OTUD7BRORCCALCRLSPRCCNC
SCHEMBL29890275 0.67 OTUD7B (0.46) OTUD7BCALCRLSPRCCNCCDK8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040095-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2021-02-11 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 (1 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-20210040095-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2B OTUD7B 3145/4885RORC 427/4885CALCRL 711/4885

“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.