SCHEMBL3706915

SCHEMBL3706915

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
PAOX Q6QHF9 2/20 0.31

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
SCHEMBL3706885 0.80 ECE1 (0.32) ECE1
SCHEMBL3706724 0.78 MTNR1A (0.35) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL3698243 0.78 ALDH1A1 (0.42) ECE1
SCHEMBL3696363 0.74
SCHEMBL9056141 0.73
SCHEMBL14759463 0.73
SCHEMBL3979325 0.73
SCHEMBL2140255 0.72 ECE1 (0.33) ECE1
SCHEMBL2140176 0.72 HTT (0.50) KDM4E
SCHEMBL2139379 0.72 KMT2A (0.38) MTNR1AMTNR1B

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 ECE1 929/4885MTNR1A 283/4885MTNR1B 228/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 ECE1 929/4885MTNR1A 283/4885MTNR1B 228/4885

“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.