SCHEMBL5517082

SCHEMBL5517082

C[C@@H]1CN1C(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.64
PDK1 Q15118 1/20 0.60
PDK2 Q15119 1/20 0.60
PDK3 Q15120 1/20 0.60
PDK4 Q16654 1/20 0.60
CACNA1G O43497 1/20 0.54
CACNA1H O95180 1/20 0.54
CACNA1I Q9P0X4 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL5517077 1.00 HTR2C (0.64) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL10053573 1.00 HTR2C (0.64) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL1188628 0.91 HTR2C (0.56) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL1188627 0.91 HTR2C (0.56) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL1188626 0.91 HTR2C (0.56) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL13895337 0.89 PDK1 (0.55) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL23196743 0.88 POLB (0.56) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL13928546 0.88 POLB (0.56) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL13888953 0.88 PDK1 (0.56) HTR2CPDK1PDK2PDK3PDK4
SCHEMBL4329059 0.87 PDK1 (0.71) HTR2CPDK1PDK2PDK3PDK4

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
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 US disclosed
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-10-22 US disclosed
WO-2019052545-A1 CYCLIC PEPTIDE ANTIBIOTICS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-21 WO disclosed
US-7205331-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2007-04-17 US disclosed
US-7135585-B2 Fungicidal carboxamides BASARAB GREGORY STEVEN 2006-11-14 US disclosed
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-08-10 US disclosed
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES BASARAB GREGORY S 2006-02-02 US disclosed
US-6642392-B1 Pyrrole derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-11-04 US disclosed
US-6251947-B1 CERTAIN N-(ARYLPROPYL), N-(ARYLOXYETHYL), AND N-(ARYLALLYL)-CARBOXAMIDES, THEIR AGRICULTURALLY SUITABLE SALTS USED AS FUNGICIDE TO CONTROL PLANT DISEASE BY APPLYING AN EFFECTIVE AMOUNT ON THE PLANT BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2001-06-26 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 (4 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-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP HTR2C 3386/4885PDK1 3091/4885PDK2 3396/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP HTR2C 3386/4885PDK1 3091/4885PDK2 3396/4885
US-20060178425-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 HTR2C 1956/4885PDK1 873/4885PDK2 1578/4885
US-20060025472-A1 FUNGICIDAL CARBOXAMIDES CBR3, CBR1, CYC1 HTR2C 2369/4885PDK1 1485/4885PDK2 2151/4885

“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.