SCHEMBL3706724

SCHEMBL3706724

CC[C@@H](C)[CH]CNC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
PAOX Q6QHF9 1/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
FLT3 P36888 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL2619340 0.79 KISS1R (0.37) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL3705803 0.79 EPHX2 (0.33) TSHRUSP2ALDH1A1
SCHEMBL3706915 0.78 ECE1 (0.34) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL3709920 0.71 ALDH1A1 (0.52) KDM4EALDH1A1
SCHEMBL13397644 0.68 KDM4E (0.46) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL10401862 0.68 KDM4E (0.46) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL10271811 0.67 KISS1R (0.40) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL5753972 0.66
SCHEMBL1262877 0.66
SCHEMBL868382 0.66

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 3 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 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 MTNR1A 283/4885MTNR1B 228/4885KDM4E 4121/4885
US-20120122763-A1 NOVEL TETRAHYDROCARBAZOLE DERIVATIVES AS LIGANDS OF G-PROTEIN COUPLED RECEPTORS GPR88, GPR34, GPR27 MTNR1A 283/4885MTNR1B 228/4885KDM4E 4121/4885

“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.