SCHEMBL3665404

SCHEMBL3665404

C[C@@H]([CH]C(=O)NCCCCO)CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ECE1 P42892 1/20 0.33
CNR1 P21554 1/20 0.33
POLB P06746 1/20 0.33
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
ACHE P22303 6/20 0.31
NAAA Q02083 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL3667773 0.98 TDP1 (0.38) TDP1MAPTZDHHC20ZDHHC2ECE1
SCHEMBL3666175 0.95 PTGS1 (0.36) TDP1MAPTZDHHC20ZDHHC2ECE1
SCHEMBL3666706 0.88 ECE1 (0.36) MAPTECE1CNR1
SCHEMBL3668314 0.84 CA1 (0.36) TDP1ECE1CNR1POLBPTGS1
SCHEMBL3701011 0.80 ZDHHC20 (0.43) TDP1MAPTZDHHC20ZDHHC2CNR1
SCHEMBL3667412 0.78 ECE1 (0.34) ECE1
SCHEMBL3699041 0.76 PTGS1 (0.39) TDP1MAPTZDHHC20ZDHHC2CNR1
SCHEMBL3664735 0.75 ALDH1A1 (0.41) POLBPTGS1KCNH2ACHEKDM4E
SCHEMBL3704586 0.74 ALDH1A1 (0.34) MAPTMAPK1
SCHEMBL3632130 0.74 GAA (0.56) MAPTPOLBKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 EP claimed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US claimed
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS AETERNA ZENTARIS GMBH (DE) 2009-03-19 US claimed
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO claimed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP claimed
US-8541462-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2013-09-24 US disclosed
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
EP-2150558-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AEterna Zentaris GmbH (DE) 2010-02-10 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
WO-2008132153-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS ÆTERNA ZENTARIS GMBH (DE) 2008-11-06 WO disclosed
EP-1988098-A1 Novel Tetrahydrocarbazole Derivatives as Ligands of G-protein Coupled Receptors AEterna Zentaris GmbH (DE) 2008-11-05 EP 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 (3 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 TDP1 4250/4885MAPT 3996/4885ZDHHC20 1333/4885
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS LHCGR, GNRHR, FSHR TDP1 4249/4885MAPT 2979/4885ZDHHC20 1876/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 TDP1 4250/4885MAPT 3996/4885ZDHHC20 1333/4885

“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.