SCHEMBL5107992

SCHEMBL5107992

COc1nc(C)c(CCO)c(=O)n1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 2/20 0.32
IDO1 P14902 1/20 0.32
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
KDM5A P29375 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
SCHEMBL3521123 0.80 KDM4E (0.44) KDM4EGAAKMT2ALMNAALDH1A1
SCHEMBL5108243 0.78 KDM4E (0.31) KDM4ELMNAALDH1A1DCTPP1
SCHEMBL9382067 0.77 KDM4E (0.43) KDM4EGAAKMT2ALMNAALDH1A1
SCHEMBL9383926 0.74 KDM4E (0.41) KDM4EGAALMNAALDH1A1MAPT
SCHEMBL7145868 0.72 KDM4E (0.42) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL9382528 0.70 KDM4E (0.38) KDM4EGAAKMT2ALMNAALDH1A1
SCHEMBL9381041 0.68 KDM4E (0.37) KDM4EGAAKMT2ALMNAALDH1A1
SCHEMBL10831986 0.67 KDM4E (0.43) KDM4EGAAALDH1A1MAPTPOLB
SCHEMBL9801808 0.67 KDM4E (0.40) KDM4EGAAALDH1A1MAPT
SCHEMBL7149054 0.66 ADRA2A (0.56) KDM4EMAPTCYP1A2POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371769-B2 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-13 US disclosed
EP-1828168-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES Solvay Pharmaceuticals B.V. (NL) 2007-09-05 EP disclosed
US-20070066634-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-22 US disclosed
WO-2006061373-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
US-20060122206-A1 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. 2006-06-08 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-20060122206-A1 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SLC6A3, HTR3C, DRD3 KDM4E 4257/4885GAA 4620/4885KMT2A 3386/4885
US-20070066634-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SLC6A3, HTR3C, DRD3 KDM4E 4257/4885GAA 4620/4885KMT2A 3386/4885

“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.