SCHEMBL21233508

SCHEMBL21233508

CC(=O)N1CCC2(CCCNC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP2D6 P10635 3/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
OTUD7B Q6GQQ9 1/20 0.37
USP2 O75604 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL18711886 0.90 OTUD7B (0.46) JAK2JAK1TYK2JAK3MEN1
SCHEMBL2728185 0.85 OTUD7B (0.38) JAK1TYK2HSD17B10OTUD7BLTA4H
SCHEMBL21225565 0.83 CRBN (0.35) OTUD7BHPGDLTA4HCCNCCDK8
SCHEMBL21224568 0.80 OTUD7B (0.37) JAK1TYK2GAAOTUD7BLTA4H
SCHEMBL2020246 0.79 CCNC (0.44) MEN1KMT2AUSP2MAPK1HPGD
SCHEMBL2605421 0.79 OTUD7B (0.41) JAK2JAK1TYK2JAK3OTUD7B
SCHEMBL19852842 0.78 OTUD7B (0.45) JAK2JAK1TYK2JAK3MEN1
SCHEMBL13207170 0.76 JAK2 (0.40) JAK2JAK1TYK2JAK3MEN1
SCHEMBL25238524 0.75 OTUD7B (0.37) OTUD7BLTA4HGRIN1GRIN2A
SCHEMBL5173578 0.75 OTUD7B (0.37) OTUD7BLTA4HGRIN1GRIN2A

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-11578072-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2023-02-14 US disclosed
US-20210040095-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2021-02-11 US disclosed
WO-2019152687-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO 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-11578072-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2B JAK2 3631/4885JAK1 4460/4885TYK2 2835/4885
US-20210040095-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2B JAK2 3631/4885JAK1 4460/4885TYK2 2835/4885

“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.