SCHEMBL7520877

SCHEMBL7520877

[CH2]CC(CN)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.55
GABBR1 Q9UBS5 2/20 0.55
TAAR1 Q96RJ0 4/20 0.54
HTR2A P28223 3/20 0.54
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HRH1 P35367 2/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DPP4 P27487 2/20 0.40
F2 P00734 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1539105 0.85 TAAR1 (0.65) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL3031215 0.85 TAAR1 (0.43) GABBR2GABBR1TAAR1HTR2AHRH1
Hydrochloric Acid SCHEMBL10676327 0.82 TAAR1 (0.62) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL7517934 0.76 TRPA1 (0.42) GABBR2GABBR1TAAR1HTR2ADPP4
SCHEMBL9137323 0.76 HRH1 (0.62) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL9126415 0.76 HRH1 (0.39) GABBR2GABBR1TAAR1HTR2AHRH1
SCHEMBL7666405 0.76 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL429746 0.76 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL429745 0.76 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL7277441 0.76 TAAR1 (0.37) GABBR2GABBR1TAAR1HTR2AHRH1

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 34 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
CN-105916499-A 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2016-08-31 CN claimed
WO-2015110481-A1 12-EPI-PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2015-07-30 WO claimed
CN-104211695-A New use of group of carbamyl phenylsulfonyl compounds INST MED BIOTECHNOLOGY CAMS 2014-12-17 CN claimed
CN-1353689-A Novel hydroxamic acid derivatives DAIICHI PREC KAGAKU (JP) 2002-06-12 CN claimed
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP claimed
CN-1284060-A Novel metalloprotease inhibitors FUJI YAKUHIN KOGYO KK (JP) 2001-02-14 CN 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
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 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 (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 GABBR2 3743/4885GABBR1 3584/4885TAAR1 2460/4885
US-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC GABBR2 1961/4885GABBR1 1694/4885TAAR1 1333/4885
US-20230174509-A1 THERAPEUTIC USE OF PLEUROMUTILINS MLN, PLEC, PELP1 GABBR2 2557/4885GABBR1 2147/4885TAAR1 1278/4885

“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.