SCHEMBL3706924

SCHEMBL3706924

C[C@@H]([CH]C(=O)NCCn1ccnc1)CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
QPCT Q16769 2/20 0.44
LMNA P02545 1/20 0.42
TBXAS1 P24557 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HRH4 Q9H3N8 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
SCHEMBL3668828 0.88 QPCT (0.45) ALDH1A1QPCTLMNATBXAS1L3MBTL1
SCHEMBL3662444 0.81 QPCT (0.55) ALDH1A1QPCTLMNAL3MBTL1POLB
SCHEMBL3664280 0.81 QPCT (0.55) ALDH1A1QPCTLMNAL3MBTL1POLB
SCHEMBL26305930 0.76 ALDH1A1 (0.45) ALDH1A1QPCTTBXAS1L3MBTL1EGLN3
SCHEMBL3632316 0.76 EGLN3 (0.43) ALDH1A1QPCTTBXAS1POLBEGLN3
SCHEMBL3670494 0.75 EGLN3 (0.46) ALDH1A1TBXAS1EGLN3HRH4
SCHEMBL3699908 0.75 ALDH1A1 (0.37) ALDH1A1LMNAPOLBSMN1; SMN2NPC1
SCHEMBL10311722 0.74 QPCT (0.50) ALDH1A1QPCTLMNATBXAS1L3MBTL1
SCHEMBL16799114 0.74 ALDH1A1 (0.61) ALDH1A1QPCTLMNATBXAS1L3MBTL1
SCHEMBL4399230 0.72 ALDH1A1 (0.54) ALDH1A1QPCTTBXAS1L3MBTL1EGLN3

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 1733/4885QPCT 2366/4885LMNA 3715/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ALDH1A1 1733/4885QPCT 2366/4885LMNA 3715/4885

“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.