SCHEMBL3703906

SCHEMBL3703906

C[C@@H]([CH]C(=O)NNC(=O)c1ccco1)CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
TP53 P04637 2/20 0.50
ALPL P05186 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3701331 0.79 NPC1 (0.45) GAASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3633525 0.76 CYP3A4 (0.45) GAASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL2138574 0.74 ALDH1A1 (0.51) GAATP53SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3709993 0.74 ALDH1A1 (0.45) GAASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3695948 0.74 ECE1 (0.32)
SCHEMBL24932409 0.74 KMT2A (0.65) GAATP53ALPLSMN1; SMN2KDM4E
SCHEMBL4746606 0.72 ALDH1A1 (0.51) SMN1; SMN2RAB9AKMT2AL3MBTL1MEN1
SCHEMBL3632305 0.71 GAA (0.49) GAASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3665726 0.71 ECE1 (0.30)
SCHEMBL3702766 0.71 NPC1 (0.56) TP53SMN1; SMN2KDM4ENPC1RAB9A

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-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 GAA 4227/4885TP53 4832/4885ALPL 4582/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 GAA 4227/4885TP53 4832/4885ALPL 4582/4885

“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.