SCHEMBL19853386

SCHEMBL19853386

COc1ccc(CN2CC3(CC(N[C@H](C(N)=O)[C@@H](C)O)CN3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP13 P45452 1/20 0.40
OPRM1 P35372 6/20 0.39
OPRL1 P41146 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MCHR1 Q99705 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL27082280 1.00 MMP1 (0.40) MMP1MMP13OPRM1OPRL1SMN1; SMN2
SCHEMBL29556937 1.00 MMP1 (0.40) MMP1MMP13OPRM1OPRL1SMN1; SMN2
SCHEMBL19853460 0.86 OPRM1 (0.41) MMP1MMP13OPRM1OPRL1SMN1; SMN2
SCHEMBL19853387 0.84 POLB (0.35) MMP1MMP13OPRM1OPRL1SMN1; SMN2
SCHEMBL19853388 0.79 KMT2A (0.39) MMP1MMP13OPRM1OPRL1SMN1; SMN2
SCHEMBL19838919 0.79 KMT2A (0.39) MMP1MMP13OPRM1OPRL1SMN1; SMN2
SCHEMBL19853302 0.76 GAA (0.50) MMP1MMP13OPRM1OPRL1GAA
SCHEMBL22086459 0.73 ARG1 (0.30)
SCHEMBL19839016 0.72 GAA (0.45) MMP1MMP13OPRM1OPRL1GAA
SCHEMBL19839013 0.72 GAA (0.45) MMP1MMP13OPRM1OPRL1GAA

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 7 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
WO-2021021996-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR APTINYX INC. (US) 2021-02-04 WO 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 MMP1 4498/4885MMP13 4405/4885OPRM1 40/4885
US-20220098211-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C MMP1 4498/4885MMP13 4405/4885OPRM1 40/4885
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2C MMP1 4498/4885MMP13 4405/4885OPRM1 40/4885

“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.