SCHEMBL3701331

SCHEMBL3701331

C[C@@H]([CH]C(=O)NNC(=O)c1ccccc1)CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
CTDSP1 Q9GZU7 1/20 0.42
POLB P06746 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 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
SCHEMBL3633525 0.89 CYP3A4 (0.45) NPC1RAB9APOLBCYP2C9CYP3A4
SCHEMBL3709993 0.86 ALDH1A1 (0.45) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL2138574 0.86 ALDH1A1 (0.51) POLBCYP3A4SMN1; SMN2ALDH1A1HDAC1
SCHEMBL3702766 0.82 NPC1 (0.56) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL3632305 0.81 GAA (0.49) CYP3A4SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL3703906 0.79 GAA (0.50) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL3695948 0.78 ECE1 (0.32)
SCHEMBL4746606 0.77 ALDH1A1 (0.51) RAB9ACYP2C9SMN1; SMN2ALDH1A1MEN1
SCHEMBL2142564 0.75 METAP2 (0.42) NPC1RAB9APOLBALDH1A1
SCHEMBL3665726 0.75 ECE1 (0.30)

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 5 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 claimed
US-20090170783-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS AETERNA ZENTARIS GMBH (DE) 2009-07-02 US 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
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 NPC1 1510/4885RAB9A 960/4885CTDSP1 3912/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 NPC1 1510/4885RAB9A 960/4885CTDSP1 3912/4885

“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.