SCHEMBL1309969

SCHEMBL1309969

N[C@@H](CC1CCCNC1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.62
CPB2 Q96IY4 2/20 0.62
KMT2A Q03164 2/20 0.43
SLC6A1 P30531 4/20 0.43
SLC6A11 P48066 3/20 0.43
SLC6A13 Q9NSD5 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRA5 P31644 2/20 0.42
GABRB2 P47870 2/20 0.42
SLC6A12 P48065 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
CYP2D6 P10635 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRA4 P48169 1/20 0.42
EPHX1 P07099 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
SCHEMBL1062937 1.00 CPN1 (0.62) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL2268353 0.89 SLC6A1 (0.53) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL2268358 0.89 SLC6A1 (0.53) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL25661085 0.89 SLC6A1 (0.53) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL1798689 0.86 CPN1 (0.54) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL1798686 0.86 CPN1 (0.54) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL6371444 0.83 CPN1 (0.51) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL2263033 0.81 PTGS1 (0.39) CPN1CPB2GRIN2DGRIN3BGRIN1
SCHEMBL2263028 0.81 PTGS1 (0.39) CPN1CPB2GRIN2DGRIN3BGRIN1
SCHEMBL24190465 0.81 CPN1 (0.49) CPN1CPB2KMT2ASLC6A1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2722051-A1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus Seattle Genetics, Inc. (US) 2014-04-23 EP claimed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US claimed
EP-1917020-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2008-05-07 EP claimed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO claimed
EP-3498289-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2019-06-19 EP disclosed
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC. 2018-12-13 US disclosed
EP-2722051-B1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus SEATTLE GENETICS INC (US) 2018-11-07 EP disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-9828393-B2 Silylalkyloxyaryl compounds and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-11-28 US disclosed
US-20160159832-A1 SILYLALKYLOXYARYL COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2016-06-09 US disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
WO-2015013322-A1 SILYLALKYLOXYARYL COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-01-29 WO disclosed
EP-1917020-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS Seattle Genetics, Inc. (US) 2008-05-07 EP disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
US-7071168-B2 Anti-cancer compounds and methods related thereto THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2006-07-04 US disclosed
US-6388054-B1 AMINO ACID SEQUENCES OF ANTITUMOR AGENTS AND APOPTOSIS AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-05-14 US disclosed
US-6197748-B1 ANTICOAGULANTS COR THERAPEUTICS, INC. 2001-03-06 US disclosed
WO-2000011022-A1 ANTI-CANCER COMPOUNDS AND METHODS RELATED THERETO STEWART JOHN M (US) 2000-03-02 WO disclosed
EP-0832102-A1 KETOHETEROCYCLIC INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1998-04-01 EP disclosed
WO-1996040744-A1 KETOHETEROCYCLIC INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 1996-12-19 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 (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-20160159832-A1 SILYLALKYLOXYARYL COMPOUNDS AND METHODS FOR TREATING CANCER BCL3, MYLK2, BCL2L13 CPN1 3811/4885CPB2 3834/4885KMT2A 938/4885
US-20180355025-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP CPN1 1976/4885CPB2 1766/4885KMT2A 1279/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS CPN1 1904/4885CPB2 1657/4885KMT2A 1455/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP CPN1 1978/4885CPB2 1811/4885KMT2A 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.