SCHEMBL19688700

SCHEMBL19688700

[N-]=[N+]=NC1(c2ccccc2Cl)CCCCC1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.51
GRIN2A Q12879 3/20 0.51
SLC6A4 P31645 2/20 0.51
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
OPRK1 P41145 1/20 0.51
LMNA P02545 1/20 0.51
OPRM1 P35372 1/20 0.51
CACNA1C Q13936 1/20 0.51
HDAC4 P56524 1/20 0.41
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL21452130 0.80 GRIN1 (0.36) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL21452103 0.71 HDAC4 (0.44) GRIN1GRIN2ASLC6A4OPRK1LMNA
Norketamine SCHEMBL30089862 0.70 GRIN1 (0.59) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
Norketamine SCHEMBL12601748 0.70 GRIN1 (0.59) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
Norketamine SCHEMBL30089863 0.70 GRIN1 (0.59) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL24305439 0.70 GRIN1 (0.59) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL3716669 0.70 GRIN1 (0.59) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
Norketamine SCHEMBL3390132 0.70 GRIN1 (0.59) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL19992375 0.70 GRIN1 (0.63) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B
SCHEMBL31240478 0.70 GRIN1 (0.59) GRIN1GRIN2ASLC6A4GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716332-B Preparation method of ketamine 宜昌人福药业有限责任公司 2023-06-02 CN claimed
CN-114716332-A Preparation method of ketamine 宜昌人福药业有限责任公司 2022-07-08 CN claimed
CN-110818587-B Preparation method of ketamine and synthesis method of intermediate compound 宜昌人福药业有限责任公司 2022-06-03 CN claimed
CN-110818587-A Preparation method of ketamine and synthesis method of intermediate compound 宜昌人福药业有限责任公司 2020-02-21 CN claimed
US-20230312500-A1 LONG-ACTING LOW-ADDICTION HNK DERIVATIVE AND PREPARATION METHOD THEREFOR SHENZHEN RUIJIAN BIOTECHNOLOGY CO., LTD (CN) 2023-10-05 US disclosed
US-20230312500-A1 LONG-ACTING LOW-ADDICTION HNK DERIVATIVE AND PREPARATION METHOD THEREFOR SHENZHEN RUIJIAN BIOTECHNOLOGY CO., LTD (CN) 2023-10-05 US disclosed
US-20230303481-A1 LONG-ACTING LOW-ADDICTION HNK DERIVATIVE AND PREPARATION METHOD THEREFOR SHENZHEN RUIJIAN BIOTECHNOLOGY CO., LTD (CN) 2023-09-28 US disclosed
CN-114716332-B Preparation method of ketamine 宜昌人福药业有限责任公司 2023-06-02 CN disclosed
CN-114716332-B Preparation method of ketamine 宜昌人福药业有限责任公司 2023-06-02 CN disclosed
CN-114716332-A Preparation method of ketamine 宜昌人福药业有限责任公司 2022-07-08 CN disclosed
CN-114716332-A Preparation method of ketamine 宜昌人福药业有限责任公司 2022-07-08 CN disclosed
CN-110818587-B Preparation method of ketamine and synthesis method of intermediate compound 宜昌人福药业有限责任公司 2022-06-03 CN disclosed
EP-3463323-B1 SOLID ORAL DOSAGE FORMS OF 2R,6R-HYDROXYNORKETAMINE OR DERIVATIVES THEREOF SMALL PHARMA LTD (GB) 2021-10-20 EP disclosed
CN-110818587-A Preparation method of ketamine and synthesis method of intermediate compound 宜昌人福药业有限责任公司 2020-02-21 CN disclosed
WO-2017208031-A1 SOLID ORAL DOSAGE FORMS OF 2R,6R-HYDROXYNORKETAMINE OR DERIVATIVES THEREOF SMALL PHARMA LTD (GB) 2017-12-07 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-20230312500-A1 LONG-ACTING LOW-ADDICTION HNK DERIVATIVE AND PREPARATION METHOD THEREFOR OPRK1, OPRL1, GRIK1 GRIN1 15/4885GRIN2A 18/4885SLC6A4 116/4885
US-20230303481-A1 LONG-ACTING LOW-ADDICTION HNK DERIVATIVE AND PREPARATION METHOD THEREFOR OPRK1, OPRL1, NTRK1 GRIN1 11/4885GRIN2A 10/4885SLC6A4 128/4885

“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.