SCHEMBL8991076

SCHEMBL8991076

Cc1ccc(C(NC(=O)CNC(=O)CNC(=O)c2ccc(CO)cc2)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.73
SLC6A5 Q9Y345 9/20 0.63
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
GPR139 Q6DWJ6 3/20 0.52
TAOK1 Q7L7X3 2/20 0.52
TAOK3 Q9H2K8 2/20 0.52

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
SCHEMBL2514848 0.85 HPGDS (0.57) SLC6A9SLC6A5
SCHEMBL2009614 0.85 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2007002 0.85 SLC6A9 (0.88) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2011802 0.85 SLC6A9 (0.88) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2514849 0.81 LMNA (0.56) SLC6A9
SCHEMBL15985718 0.80 SMN1; SMN2 (0.50) SLC6A9
SCHEMBL2008899 0.78 SLC6A9 (0.88) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL12572421 0.78 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2009331 0.78 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139
SCHEMBL2009334 0.78 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LTD (AU) 2015-11-05 US disclosed
US-9102708-B2 Methods for the synthesis of dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2015-08-11 US disclosed
US-8759480-B2 Contoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2014-06-24 US disclosed
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-05-16 US disclosed
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-05-16 US disclosed
US-8362204-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2013-01-29 US disclosed
US-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS SYNGENE LIMITED (AU) 2013-01-24 US disclosed
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES POLYCHIP PHARMACEUTICALS PTY LTD. (AU) 2012-06-07 US disclosed
US-8188217-B2 2012-05-29 US disclosed
US-8124726-B2 Contoxin analogues and methods for synthesizing same MONASH UNIVERSITY (AU) 2012-02-28 US disclosed
US-7745573-B2 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides POLYCHIP PHARMACEUTICALS PTY LTD. (AU) 2010-06-29 US disclosed
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds MONASH UNIVERSITY (AU) 2010-02-11 US disclosed
US-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same MONASH UNIVERSITY (AU) 2010-01-28 US disclosed
US-7538190-B2 Methods for the synthesis of two or more dicarba bridges in organic compounds POLYCHIP PHARMACEUTICALS PTY LTD (AU) 2009-05-26 US disclosed
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds SYNGENE LIMITED (AU) 2007-08-23 US disclosed
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides SYNGENE LIMITED (AU) 2007-08-23 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 (8 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-20130023645-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, CDCA2 SLC6A9 2436/4885SLC6A5 2477/4885CYP2D6 1482/4885
US-20130123463-A1 METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS OTC, NBAS, IDH2 SLC6A9 1489/4885SLC6A5 1613/4885CYP2D6 985/4885
US-20120142892-A1 CONTOXIN ANALOGUES AND METHODS FOR SYNTHESIS OF INTRAMOLECULAR DICARBA BRIDGE-CONTAINING PEPTIDES VIP, CANX, INHA SLC6A9 1714/4885SLC6A5 1517/4885CYP2D6 4374/4885
US-20100022749-A1 Contoxin Analogues and Methods for Synthesizing Same VIP, CANX, PDIA5 SLC6A9 2209/4885SLC6A5 2001/4885CYP2D6 4271/4885
US-20100036089-A1 Methods for the Synthesis of Dicarba Bridges in Organic Compounds DCLRE1A, RNF168, MTCL3 SLC6A9 2473/4885SLC6A5 2506/4885CYP2D6 1391/4885
US-20150315243-A1 METHODS FOR THE SYNTHESIS OF DICARBA BRIDGES IN ORGANIC COMPOUNDS DCLRE1A, RNF168, MTCL3 SLC6A9 2473/4885SLC6A5 2506/4885CYP2D6 1391/4885
US-20070197771-A1 Methods for the synthesis of two or more dicarba bridges in organic compounds OTC, NBAS, IDH2 SLC6A9 1489/4885SLC6A5 1613/4885CYP2D6 985/4885
US-20070197429-A1 Conotoxin analogues and methods for synthesis of intramolecular dicarba bridge-containing peptides VIP, NRDC, INHA SLC6A9 1584/4885SLC6A5 1418/4885CYP2D6 4780/4885

“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.