SCHEMBL21233486

SCHEMBL21233486

COC(=O)C1(CCCCN)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
PKM P14618 1/20 0.45
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.37
MMP13 P45452 3/20 0.36
ADAM17 P78536 3/20 0.36
MMP2 P08253 2/20 0.36
MMP14 P50281 1/20 0.36
NAMPT P43490 1/20 0.36
EPHX1 P07099 1/20 0.36
GPR119 Q8TDV5 1/20 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
SCHEMBL29346988 0.93 CYP4F2 (0.54) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL1958618 0.88 PKM (0.48) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL21233488 0.87 CYP4F2 (0.47) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL17761472 0.86 PKM (0.44) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL21225828 0.85 CYP4F2 (0.46) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL4767476 0.85 PKM (0.45) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL4774435 0.85 PKM (0.45) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL21963889 0.84 PKM (0.47) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL4792775 0.84 PKM (0.44) CYP4F2CYP4A11PKMUSP2SMN1; SMN2
SCHEMBL20475488 0.83 PKM (0.47) CYP4F2CYP4A11PKMUSP2SMN1; SMN2

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 4 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
CN-112204031-A Spiro-lactam NMDA receptor modulators and uses thereof 阿普廷伊克斯股份有限公司 2021-01-08 CN 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 CYP4F2 3164/4885CYP4A11 3170/4885PKM 1085/4885
US-20210040095-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2B CYP4F2 3164/4885CYP4A11 3170/4885PKM 1085/4885

“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.