SCHEMBL6429098

SCHEMBL6429098

COC(=O)CCN1CCC(=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.43
KAT2B Q92831 3/20 0.41
CACNA1C Q13936 1/20 0.40
KDM1A O60341 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL19978286 0.86 PAOX (0.47) SMN1; SMN2ALDH1A1TSHRKAT2BLMNA
SCHEMBL4489670 0.84 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KDM4ETSHRCACNA1C
SCHEMBL1174392 0.84
SCHEMBL5767349 0.82 KAT2B (0.43) ALDH1A1TSHRKAT2BLMNAL3MBTL1
SCHEMBL6764084 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4ETSHRKAT2B
SCHEMBL4133149 0.81 CNR1 (0.39) SMN1; SMN2ALDH1A1KDM4ETSHRTP53
SCHEMBL5483874 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4ETSHRCACNA1C
SCHEMBL1725970 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT
SCHEMBL65886 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT
SCHEMBL10409891 0.79 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TSHRMAPTLMNA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023193789-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2023-10-12 WO disclosed
CN-116829570-A WEE1 degrading compounds 北京星奇原生物科技有限公司 2023-09-29 CN disclosed
CN-116283977-A Inhibitors of αvβ6 integrin 莫菲克医疗股份有限公司 2023-06-23 CN disclosed
CN-110573499-B Inhibitors of αvβ6 integrin 莫菲克医疗股份有限公司 2023-04-21 CN disclosed
EP-3643704-B1 NEW INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA GMBH (DE) 2020-12-16 EP disclosed
US-10844014-B2 Intermediates for the preparation of remifentanil hydrochloride HAMELN PHARMA GMBH (DE) 2020-11-24 US disclosed
US-20200131127-A1 INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE HAMELN PHARMA PLUS GMBH (DE) 2020-04-30 US disclosed
EP-3643704-A1 NEW INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE hameln pharma plus gmbh (DE) 2020-04-29 EP disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20100016601-A1 PROCESS FOR PREPARING REMIFENTANIL, INTERMEDIATES THEREOF, USE OF SAID INTERMEDIATES AND PROCESSES FOR THE PREPARATION THEREOF KERN PHARMA, S.L. 2010-01-21 US disclosed
WO-2007144391-A1 PROCESS FOR PREPARING REMIFENTANIL, INTERMEDIATES THEREOF, USE OF SAID INTERMEDIATES AND PROCESSES FOR THEIR PREPARATION KERN PHARMA, S.L. (ES) 2007-12-21 WO disclosed
EP-1867635-A1 Process for preparing remifentanil, intermediates thereof, use of said intermediates and processes for their preparation KERN PHARMA, S.L. (ES) 2007-12-19 EP disclosed
EP-1126838-A4 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-02-16 EP disclosed
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2003-11-06 US disclosed
US-6593347-B2 Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam NITROMED, INC. 2003-07-15 US disclosed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 US disclosed
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 US disclosed
EP-1126838-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-08-29 EP disclosed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 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 (5 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-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NOS2, NOS3, NOS1 SMN1; SMN2 2977/4885ALDH1A1 1076/4885KDM4E 4320/4885
US-10844014-B2 Intermediates for the preparation of remifentanil hydrochloride OPRK1, OPRM1, OPRD1 SMN1; SMN2 1422/4885ALDH1A1 1041/4885KDM4E 486/4885
US-20200131127-A1 INTERMEDIATES FOR THE PREPARATION OF REMIFENTANIL HYDROCHLORIDE OPRK1, OPRM1, OPRD1 SMN1; SMN2 1422/4885ALDH1A1 1041/4885KDM4E 486/4885
US-20100016601-A1 PROCESS FOR PREPARING REMIFENTANIL, INTERMEDIATES THEREOF, USE OF SAID INTERMEDIATES AND PROCESSES FOR THE PREPARATION THEREOF OPRK1, CYP3A43, CYP3A4 SMN1; SMN2 1358/4885ALDH1A1 786/4885KDM4E 778/4885
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 SMN1; SMN2 2381/4885ALDH1A1 360/4885KDM4E 3946/4885

“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.