SCHEMBL22013866

SCHEMBL22013866

CC1(C)OC[C@@H](CCCOc2ccc(Br)cc2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
RAB9A P51151 1/20 0.38
MAOB P27338 2/20 0.38
MAPK14 Q16539 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
DHFR P00374 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL22013864 1.00 KDM4E (0.40) KDM4ERECQLTDP1DRD4DRD2
SCHEMBL18991624 0.84 CA2 (0.44) TDP1MAPK14ALDH1A1CA2MEN1
SCHEMBL3828218 0.84 CA2 (0.44) TDP1MAPK14ALDH1A1CA2MEN1
SCHEMBL6270189 0.83 L3MBTL1 (0.40) KDM4ETDP1DRD4DRD2DRD3
SCHEMBL10757573 0.82 HRH3 (0.43) MAPK14ALDH1A1HTR1AADRA1DADRA1B
SCHEMBL10757577 0.82 MAPK14 (0.35) KDM4ETDP1MAPK14ALDH1A1HTR1A
SCHEMBL2215555 0.80 MAPK14 (0.43) KDM4EDRD3MAPK14L3MBTL1ALDH1A1
SCHEMBL5766219 0.80 MAPK14 (0.43) KDM4EDRD3MAPK14L3MBTL1ALDH1A1
SCHEMBL7165644 0.79 ALDH1A1 (0.45) KDM4EMAPK14ALDH1A1HTR1AADRA1D
SCHEMBL12012111 0.79 NFE2L2 (0.47) TDP1RAB9AMAPK14HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171014-B Monocyclolactam compounds and uses thereof 南京圣和药业股份有限公司 2023-11-07 CN disclosed
CN-112771040-B Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2022-10-18 CN disclosed
US-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 US disclosed
US-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 US disclosed
EP-3882246-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2021-09-22 EP disclosed
EP-3882246-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2021-09-22 EP disclosed
CN-112771040-A Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
WO-2020098635-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR 南京圣和药业股份有限公司 2020-05-22 WO disclosed
CN-111171014-A Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2020-05-19 CN 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 (1 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-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR BPGM, IL1B, WEE1 KDM4E 3080/4885RECQL 3341/4885TDP1 3885/4885

“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.