SCHEMBL4069124

SCHEMBL4069124

CCOC(=O)C(=Cc1cccc(OC)c1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.69
LMNA P02545 9/20 0.69
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
PLIN1 O60240 1/20 0.69
POLB P06746 1/20 0.69
PLIN5 Q00G26 1/20 0.69
ABHD5 Q8WTS1 1/20 0.69
GLO1 Q04760 1/20 0.52
NPSR1 Q6W5P4 5/20 0.49
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
AR P10275 1/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL4063539 0.87 GLO1 (0.54) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL17619350 0.86 GLO1 (0.53) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL25367057 0.84 ALDH1A1 (0.67) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL6341533 0.82 MAPT (0.48) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL9494896 0.82 KMT2A (1.00) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL1373654 0.80 MAPT (0.71) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL10318091 0.78 ALDH1A1 (0.72) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL9052309 0.78 MEN1 (0.70) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL18304687 0.77 HPGD (0.49) MAPTLMNAKMT2AMEN1PLIN1
SCHEMBL13690244 0.76 LMNA (0.42) MAPTLMNAKMT2AMEN1PLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-29 US disclosed
CN-114423757-B Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2024-07-02 CN disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
EP-3999508-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
US-20220259205-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-08-18 US disclosed
EP-3999508-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-05-25 EP disclosed
CN-114423757-A Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-04-29 CN disclosed
WO-2021011724-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-21 WO disclosed
WO-2021011724-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-01-21 WO disclosed
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US disclosed
EP-1773833-A4 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
EP-1773833-A2 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2006019940-A2 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO disclosed
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US 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-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, HTR3B, HTR2C, HTR2B MAPT 2359/4885LMNA 3641/4885KMT2A 2922/4885
US-20220259205-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 MAPT 4345/4885LMNA 1227/4885KMT2A 327/4885
US-12286428-B2 Tricyclic heteroaryl compounds useful as IRAK4 inhibitors IRAK4, IRAK1, IRAK3 MAPT 4345/4885LMNA 1227/4885KMT2A 327/4885

“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.