SCHEMBL3703074

SCHEMBL3703074

CC[C@H](C)C(NC(=O)O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ENPEP Q07075 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FPR2 P25090 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL3703073 1.00 ALDH1A1 (0.48) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL3703076 1.00 ALDH1A1 (0.48) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL3635434 0.84 ALDH1A1 (0.46) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL3635433 0.84 ALDH1A1 (0.46) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL3635439 0.84 ALDH1A1 (0.46) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL10137041 0.83 ENPEP (0.47) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL15302507 0.83 ALDH1A1 (0.68) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL15302508 0.83 ALDH1A1 (0.68) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL5520878 0.82 ENPEP (0.46) ALDH1A1ENPEPL3MBTL1MMEACE
SCHEMBL12763601 0.82 ENPEP (0.52) ALDH1A1ENPEPL3MBTL1MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-8273716-B2 Use of LHRH antagonists for intermittent treatments SPECTRUM PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
US-20090221569-A1 USE OF LHRH ANTAGONISTS FOR INTERMITTENT TREATMENTS AETERNA ZENTARIS GMBH (DE) 2009-09-03 US disclosed
EP-2095818-A1 Use of LHRH antagonists at non-castrating doses AEterna Zentaris GmbH (DE) 2009-09-02 EP disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US disclosed
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS AETERNA ZENTARIS GMBH (DE) 2009-03-19 US disclosed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP disclosed
US-7375127-B2 Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) AE ZENTARIS GMBH (DE) 2008-05-20 US disclosed
US-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2006-01-19 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 (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-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885ENPEP 2816/4885L3MBTL1 3550/4885
US-20090221569-A1 USE OF LHRH ANTAGONISTS FOR INTERMITTENT TREATMENTS GNRHR, LHCGR, GHRHR ALDH1A1 2497/4885ENPEP 181/4885L3MBTL1 555/4885
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS LHCGR, GNRHR, FSHR ALDH1A1 727/4885ENPEP 176/4885L3MBTL1 712/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885ENPEP 2816/4885L3MBTL1 3550/4885
US-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) GPR88, GPR34, GPR35 ALDH1A1 3119/4885ENPEP 1922/4885L3MBTL1 3691/4885

“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.