SCHEMBL5108243

SCHEMBL5108243

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DCTPP1 Q9H773 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
SCHEMBL8474072 0.84 KDM4E (0.33) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5107992 0.78 KDM4E (0.44) KDM4EALDH1A1LMNADCTPP1
SCHEMBL8479028 0.77 KDM4E (0.34) KDM4EALDH1A1TSHR
SCHEMBL6871464 0.70 ADRA2A (0.49) KDM4EALDH1A1DCTPP1
SCHEMBL9381464 0.69 NPC1 (0.47) KDM4EALDH1A1TSHR
SCHEMBL3618682 0.69 CYP2C9 (0.39) KDM4EALDH1A1LMNA
SCHEMBL7143254 0.67 HTR2A (0.36)
SCHEMBL1779591 0.67 SMN1; SMN2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14678035 0.65 CYP1A2 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL1780224 0.62 KDM4E (0.35) KDM4EUSP2ALDH1A1LMNAMMP9

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-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
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
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 4257/4885USP2 2686/4885ALDH1A1 1366/4885
US-20070066634-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SLC6A3, HTR3C, DRD3 KDM4E 4257/4885USP2 2686/4885ALDH1A1 1366/4885

“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.