SCHEMBL2138574

SCHEMBL2138574

C[C@@H]([CH]C(=O)NNC(=O)c1ccncc1)CC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CA1 P00915 4/20 0.50
CA9 Q16790 4/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PTGS2 P35354 1/20 0.50
TP53 P04637 1/20 0.49
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL3633525 0.86 CYP3A4 (0.45) ALDH1A1CA1CA9LMNAKDM4E
SCHEMBL3701331 0.86 NPC1 (0.45) ALDH1A1MAOAPTGS2KDM4ECYP3A4
SCHEMBL3709993 0.84 ALDH1A1 (0.45) ALDH1A1MAOAHPGDLMNAKDM4E
SCHEMBL2141942 0.78 ALDH1A1 (0.52) ALDH1A1LMNAKDM4ECYP3A4GAA
SCHEMBL3695948 0.76 ECE1 (0.32)
SCHEMBL3702766 0.75 NPC1 (0.56) ALDH1A1TP53LMNAKDM4EL3MBTL1
SCHEMBL3703906 0.74 GAA (0.50) ALDH1A1TP53HPGDLMNAKDM4E
SCHEMBL3665726 0.73 ECE1 (0.30)
SCHEMBL2996632 0.72 ALDH1A1 (0.63) ALDH1A1CA1CA9MAOAMAOB
SCHEMBL3628457 0.72 MAPK1 (0.46) ALDH1A1LMNAKDM4ECYP3A4GAA

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 4 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-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2012-05-17 US disclosed
US-8148546-B2 Tetrahydrocarbazole derivatives as ligands of G-protein coupled receptors AETERNA ZENTARIS GMBH (DE) 2012-04-03 US disclosed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 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 (2 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 1733/4885CA1 3232/4885CA9 3969/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885CA1 3232/4885CA9 3969/4885

“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.