SCHEMBL6513544

SCHEMBL6513544

COC(=O)C1CCC(C(=O)OC)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL6285170 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL6285175 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7738558 0.97 CHRM2 (0.41) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7738552 0.97 CHRM2 (0.41) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL23054117 0.91 CYP2D6 (0.48) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL70308 0.90 CHRM2 (0.48) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL4245452 0.90 CHRM2 (0.48) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7738556 0.89 CYP2D6 (0.46) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL7245063 0.86 CHRNB2 (0.46) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL7245061 0.86 CHRNB2 (0.46) CHRM2CHRM4CHRM3CHRNB2CHRNA4

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 17 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-2019152681-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed
WO-2019152681-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed
EP-3490994-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF Aptinyx Inc. (US) 2019-06-05 EP disclosed
WO-2018026792-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO disclosed
US-7202238-B2 Diazabicyclo alkane derivatives with NK1 antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2007-04-10 US disclosed
EP-0873519-A4 HIV PROTEASE INHIBITORS SCRIPPS RESEARCH INST (US) 2005-04-27 EP disclosed
US-6369243-B1 ACID CATALYST THE REGENTS OF THE UNIVERISITY OF CALIFORNIA 2002-04-09 US disclosed
EP-0873519-A1 HIV PROTEASE INHIBITORS The Scripps Research Institute (US) 1998-10-28 EP disclosed
WO-1997021100-A9 HIV PROTEASE INHIBITORS 1997-10-30 WO disclosed
WO-1997021100-A1 HIV PROTEASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-06-12 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 CHRM2 1527/4885CHRM4 826/4885CHRM3 2127/4885
US-20220098211-A1 SPIRO-LACTAM AND BIS-SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN2C CHRM2 1527/4885CHRM4 826/4885CHRM3 2127/4885
US-11028095-B2 Spiro-lactam and bis-spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2C CHRM2 1527/4885CHRM4 826/4885CHRM3 2127/4885

“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.