SCHEMBL1230997

SCHEMBL1230997

Nc1ccc2c(c1)C(CO)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPRC P08575 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 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
SCHEMBL29844647 1.00 HTR2A (0.47) HTR2AHRH3CDK5CDK5R1NPC1
SCHEMBL29844508 0.91 CDK5 (0.37) HTR2AHRH3CDK5CDK5R1NPC1
SCHEMBL29844446 0.91 CDK5 (0.37) HTR2AHRH3CDK5CDK5R1NPC1
SCHEMBL275596 0.91 CDK5 (0.37) HTR2AHRH3CDK5CDK5R1NPC1
Hydrochloric Acid SCHEMBL27734241 0.89 CDK5 (0.36) HTR2AHRH3CDK5CDK5R1NPC1
Hydrochloric Acid SCHEMBL1114916 0.89 CDK5 (0.36) HTR2AHRH3CDK5CDK5R1NPC1
SCHEMBL28342668 0.86 TDO2 (0.48) HTR2AHRH3CDK5CDK5R1NPC1
SCHEMBL18385998 0.83 HTR2A (0.50) HTR2AHRH3TSHRKMT2APOLB
SCHEMBL261028 0.82 HTR2A (0.58) HTR2AHRH3TSHRKMT2APOLB
SCHEMBL29639019 0.82 HTR2A (0.58) HTR2AHRH3TSHRKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714070-B1 LONG-ACTING GLP-1/GLUCAGON RECEPTOR AGONISTS OPKO BIOLOGICS LTD (IL) 2024-03-20 EP disclosed
EP-3302571-B1 PEGYLATED OXYNTOMODULIN VARIANTS OPKO BIOLOGICS LTD (IL) 2020-11-18 EP disclosed
US-20200254065-A1 LONG-ACTING GLP-2 ANALOGS OPKO BIOLOGICS LTD. (IL) 2020-08-13 US disclosed
US-9956295-B2 Reversible pegylated drugs YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-01 US disclosed
US-9956295-B2 Reversible pegylated drugs YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-01 US disclosed
US-9956295-B2 Reversible pegylated drugs YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-01 US disclosed
US-20180050113-A1 PEGYLATED OXM VARIANTS OPKO BIOLOGICS LTD. (IL) 2018-02-22 US disclosed
US-20180050113-A1 PEGYLATED OXM VARIANTS OPKO BIOLOGICS LTD. (IL) 2018-02-22 US disclosed
WO-2017212494-A1 LONG-ACTING OXYNTOMODULIN FORMULATION AND METHODS OF PRODUCING AND ADMINISTERING SAME OPKO BIOLOGICS LTD. (IL) 2017-12-14 WO disclosed
US-9821070-B2 Pegylated OXM variants OPKO BIOLOGICS LTD. (IL) 2017-11-21 US disclosed
US-20090005574-A1 reacting a 9-hydroxymethyl-2-amino fluorene with a silyl protecting reagent e.g. tert-butyldimethylsilyl chloride to form tert-butyldimethylsiloxy-9-methyl-2-aminofluorene, reacting intermediate with 3-maleimidopropionic acid; protecting; chemical intermediates for protein and peptide drugs BAXTER INTERNATIONAL INC. (US) 2009-01-01 US disclosed
US-20090005574-A1 reacting a 9-hydroxymethyl-2-amino fluorene with a silyl protecting reagent e.g. tert-butyldimethylsilyl chloride to form tert-butyldimethylsiloxy-9-methyl-2-aminofluorene, reacting intermediate with 3-maleimidopropionic acid; protecting; chemical intermediates for protein and peptide drugs BAXTER INTERNATIONAL INC. (US) 2009-01-01 US disclosed
WO-2009000523-A1 METHOD FOR PREPARING FMOC-BASED HYDROLYSABLE LINKERS BAXTER INTERNATIONAL INC. (US) 2008-12-31 WO disclosed
WO-2009000523-A1 METHOD FOR PREPARING FMOC-BASED HYDROLYSABLE LINKERS BAXTER INTERNATIONAL INC. (US) 2008-12-31 WO disclosed
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates FRUTAROM LTD. (IL) 2008-09-11 US disclosed
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates FRUTAROM LTD. (IL) 2008-09-11 US disclosed
WO-2006097694-A2 PEPTIDE SYNTHESIS SUPPORTED BY A SOLUBLE POLYMER ACTIVOTEC SPP LIMITED (GB) 2006-09-21 WO disclosed
US-20060171920-A1 derivatization of the drug with 9-fluorenylmethoxycarbonyl (Fmoc) or 2-sulfo-9-fluorenylmethoxycarbonyl (FMS) removable under mild basic conditions by attaching a protein or polymer carrier to derivatized drug molecule,such carrier serving for delivery of the drug YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2006-08-03 US disclosed
EP-1620118-A2 REVERSIBLE PEGYLATED DRUGS YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2006-02-01 EP disclosed
WO-2004089280-A2 REVERSIBLE PEGYLATED DRUGS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-10-21 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 (5 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-20060171920-A1 derivatization of the drug with 9-fluorenylmethoxycarbonyl (Fmoc) or 2-sulfo-9-fluorenylmethoxycarbonyl (FMS) removable under mild basic conditions by attaching a protein or polymer carrier to derivatized drug molecule,such carrier serving for delivery of the drug PTMS, FIBP, FLT3 HTR2A 1734/4885HRH3 2961/4885CDK5 1678/4885
US-20090005574-A1 reacting a 9-hydroxymethyl-2-amino fluorene with a silyl protecting reagent e.g. tert-butyldimethylsilyl chloride to form tert-butyldimethylsiloxy-9-methyl-2-aminofluorene, reacting intermediate with 3-maleimidopropionic acid; protecting; chemical intermediates for protein and peptide drugs HGFAC, PTMS, PRMT9 HTR2A 2114/4885HRH3 3102/4885CDK5 2264/4885
US-20200254065-A1 LONG-ACTING GLP-2 ANALOGS GLP1R, GIPR, GCGR HTR2A 342/4885HRH3 1060/4885CDK5 3463/4885
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates VIP, PTMS, SSTR4 HTR2A 4712/4885HRH3 3308/4885CDK5 2502/4885
US-20180050113-A1 PEGYLATED OXM VARIANTS OXTR, OGFR, OGFRL1 HTR2A 2021/4885HRH3 3702/4885CDK5 3936/4885

“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.