SCHEMBL470848

SCHEMBL470848

CC(=O)NC1CCC2C=CCC21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
ATM Q13315 1/20 0.32
OGA O60502 1/20 0.31
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL880976 1.00 SMN1; SMN2 (0.35) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL880979 1.00 SMN1; SMN2 (0.35) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL1901754 0.72 PSEN1 (0.45) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL11719403 0.68 CYP2C9 (0.42) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL11683106 0.67 PSEN1 (0.52) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL19909860 0.67 CYP2C9 (0.37) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL5052551 0.67 CYP2C9 (0.38) SMN1; SMN2NPSR1CYP2C9CYP2C19MTNR1A
SCHEMBL13807076 0.67 CYP2C9 (0.38) SMN1; SMN2NPSR1CYP2C9CYP2C19MTNR1A
SCHEMBL13805721 0.67 CYP2C9 (0.38) SMN1; SMN2NPSR1CYP2C9CYP2C19MTNR1A
SCHEMBL15180280 0.66 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614049-B1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES Nabriva Therapeutics GmbH (AT) 2018-02-28 EP disclosed
EP-2614049-B1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES Nabriva Therapeutics GmbH (AT) 2018-02-28 EP disclosed
US-9278920-B2 Pleuromutilin derivatives for use in the treatment of diseases mediated by microbes NABRIVA THERAPEUTICS AG (AT) 2016-03-08 US disclosed
US-9278920-B2 Pleuromutilin derivatives for use in the treatment of diseases mediated by microbes NABRIVA THERAPEUTICS AG (AT) 2016-03-08 US disclosed
US-20130274329-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2013-10-17 US disclosed
US-20130274329-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2013-10-17 US disclosed
US-20130274329-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2013-10-17 US disclosed
WO-2012031307-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES NABRIVA THERAPEUTICS AG (AT) 2012-03-15 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 (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-20130274329-A1 PLEUROMUTILIN DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES MEDIATED BY MICROBES Q6ZSR9, CUTA, MC4R SMN1; SMN2 3027/4885NPSR1 2428/4885CYP2C9 1133/4885

“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.