SCHEMBL5115571

SCHEMBL5115571

COc1nc(C)c(CCO)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
PKM P14618 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL7147721 0.79 GAA (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7146938 0.76 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL512553 0.76 NPSR1 (0.58) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL12143535 0.75 L3MBTL1 (0.46) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL9381697 0.73 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL12142140 0.73 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMAPK1PKM
SCHEMBL9382400 0.73 KMT2A (0.45) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL5108684 0.73 KDM4E (0.58) ALDH1A1KDM4EPKMCYP2C9CYP2C19
SCHEMBL15427232 0.73 XDH (0.38) KDM4EKMT2AHCAR2
SCHEMBL7149943 0.71 ALDH1A1 (0.55) ALDH1A1KDM4EPKM

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 ALDH1A1 1366/4885MAPT 1253/4885KDM4E 4257/4885
US-20070066634-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SLC6A3, HTR3C, DRD3 ALDH1A1 1366/4885MAPT 1253/4885KDM4E 4257/4885

“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.