SCHEMBL19853293

SCHEMBL19853293

CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
BTK Q06187 1/20 0.42
NR1H2 P55055 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTRA1 Q92743 1/20 0.37
HPGD P15428 1/20 0.36
HSD11B1 P28845 1/20 0.35
UCHL1 P09936 1/20 0.34
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL19853319 1.00 HSD17B10 (0.49) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL1198433 0.90 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL13481736 0.90 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL29015468 0.90 HSD17B10 (0.44) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL29015465 0.90 HSD17B10 (0.44) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL30402912 0.90 HSD17B10 (0.44) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL3194210 0.90 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL10591305 0.89 HSD17B10 (0.43) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL7730850 0.88 HSD17B10 (0.42) HSD17B10SMN1; SMN2BTKNR1H2CHRM2
SCHEMBL21527750 0.88 HSD17B10 (0.45) HSD17B10SMN1; SMN2BTKNR1H2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490994-B1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2024-02-07 EP disclosed
CN-109661398-B Spiro-lactam and di-spiro-lactam NMDA receptor modulators and uses thereof 阿普廷伊克斯股份有限公司 2022-07-05 CN disclosed
US-20220098211-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. 2022-03-31 US disclosed
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-06-08 US disclosed
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2021-06-08 US disclosed
US-20200181159-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2020-06-11 US disclosed
US-20200181159-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2020-06-11 US disclosed
WO-2018026792-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 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 (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-20200181159-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C HSD17B10 2463/4885SMN1; SMN2 1457/4885BTK 2362/4885
US-20220098211-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C HSD17B10 2463/4885SMN1; SMN2 1457/4885BTK 2362/4885
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2C HSD17B10 2463/4885SMN1; SMN2 1457/4885BTK 2362/4885

“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.