SCHEMBL3709993

SCHEMBL3709993

C[C@@H]([CH]C(=O)NNC(=O)c1ccc(F)cc1)CC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAOA P21397 1/20 0.44
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
LMNA P02545 3/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40

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) ALDH1A1GAASMN1; SMN2LMNARAB9A
SCHEMBL3701331 0.86 NPC1 (0.45) ALDH1A1MAOAGAASMN1; SMN2HDAC3
SCHEMBL2138574 0.84 ALDH1A1 (0.51) ALDH1A1MAOAGAASMN1; SMN2HPGD
SCHEMBL3231132 0.78 HPGD (0.56) ALDH1A1GAASMN1; SMN2HPGDLMNA
SCHEMBL3695948 0.76 ECE1 (0.32)
SCHEMBL2142079 0.75 GAA (0.46) ALDH1A1GAALMNAMEN1POLB
SCHEMBL3702766 0.75 NPC1 (0.56) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL3703906 0.74 GAA (0.50) ALDH1A1GAASMN1; SMN2HPGDHDAC3
SCHEMBL3665726 0.73 ECE1 (0.30)
SCHEMBL2287134 0.72 MAOA (0.68) ALDH1A1MAOAGAASMN1; SMN2HDAC3

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 ALDH1A1 1733/4885MAOA 3841/4885GAA 4227/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885MAOA 3841/4885GAA 4227/4885

“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.