SCHEMBL7520872

SCHEMBL7520872

C[C](N)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
KEAP1 Q14145 1/20 0.54
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
FFAR1 O14842 1/20 0.50
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NOS2 P35228 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2A P28223 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
AOC3 Q16853 2/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
Phenyl Propionic Acid SCHEMBL28562797 0.80 KEAP1 (0.79) ALDH1A1KEAP1FFAR1MAPTSMN1; SMN2
SCHEMBL14889611 0.80 ALDH1A1 (0.67) ALDH1A1KEAP1GRIN1GRIN2BKDM4E
SCHEMBL16274 0.80 ALDH1A1 (0.67) ALDH1A1KEAP1GRIN1GRIN2BKDM4E
SCHEMBL7441543 0.80 ALDH1A1 (0.67) ALDH1A1KEAP1GRIN1GRIN2BKDM4E
SCHEMBL5184956 0.80 KEAP1 (0.58) ALDH1A1KEAP1GRIN1GRIN2BFFAR1
SCHEMBL10530175 0.80 ALDH1A1 (0.67) ALDH1A1KEAP1GRIN1GRIN2BKDM4E
SCHEMBL16488532 0.77 ALDH1A1 (0.52) ALDH1A1KEAP1GRIN1GRIN2BKDM4E
SCHEMBL27374049 0.77 ALDH1A1 (0.52) ALDH1A1KEAP1GRIN1GRIN2BFFAR1
SCHEMBL21758202 0.77 ALDH1A1 (0.62) ALDH1A1KEAP1GRIN1GRIN2BKDM4E
SCHEMBL27593985 0.77 ALDH1A1 (0.62) ALDH1A1KEAP1GRIN1GRIN2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174509-A1 THERAPEUTIC USE OF PLEUROMUTILINS ARIVA MED GMBH (AT) 2023-06-08 US claimed
EP-4135683-A1 THERAPEUTIC USE OF PLEUROMUTILINS Nabriva Therapeutics GMBH (AT) 2023-02-22 EP claimed
CN-115413238-A Therapeutic use of pleuromutilin compounds 纳布里瓦治疗有限责任公司 2022-11-29 CN claimed
WO-2021209596-A1 THERAPEUTIC USE OF PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-10-21 WO claimed
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP claimed
CN-105916499-B 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2020-02-18 CN claimed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US claimed
EP-3096751-A1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics AG (AT) 2016-11-30 EP claimed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 US claimed
WO-2015110481-A1 12-EPI-PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2015-07-30 WO claimed
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP claimed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP claimed
US-20240208989-A1 NOVEL 12-EPI-MUTILIN COMPOUNDS AND USES THEREOF ARIVA MED GMBH (AT) 2024-06-27 US disclosed
EP-4323366-A1 NOVEL 12-EPI-MUTILIN COMPOUNDS AND USES THEREOF Nabriva Therapeutics GMBH (AT) 2024-02-21 EP disclosed
CN-117500809-A Novel 12-epimeric-mollin compounds and uses thereof 纳布里瓦治疗有限责任公司 2024-02-02 CN disclosed
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
CN-1845907-A Guanidine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-10-11 CN disclosed
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP disclosed
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP 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-20240208989-A1 NOVEL 12-EPI-MUTILIN COMPOUNDS AND USES THEREOF MTNR1A, MSH6, MSH2 ALDH1A1 1253/4885KEAP1 780/4885GRIN1 2183/4885
US-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC ALDH1A1 543/4885KEAP1 2955/4885GRIN1 4077/4885
US-20230174509-A1 THERAPEUTIC USE OF PLEUROMUTILINS MLN, PLEC, PELP1 ALDH1A1 281/4885KEAP1 3488/4885GRIN1 3366/4885

“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.