SCHEMBL3080704

SCHEMBL3080704

OC(=S)N1CCN(Cc2cccc(F)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
PHGDH O43175 1/20 0.44
MGLL Q99685 1/20 0.44
CXCR4 P61073 2/20 0.44
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 3/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
HBB P68871 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AURKA O14965 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL3080764 0.85 FAAH (0.50) FAAHCXCR4DRD2DRD3ALDH1A1
SCHEMBL3080702 0.81 FAAH (0.46) FAAHCXCR4DRD2DRD3ALDH1A1
SCHEMBL30218427 0.79 FAAH (0.44) FAAHCXCR4DRD2DRD3ALDH1A1
SCHEMBL21043995 0.79 FAAH (0.44) FAAHCXCR4DRD2DRD3ALDH1A1
SCHEMBL939757 0.79 CXCR4 (0.53) CXCR4DRD2DRD3ALDH1A1KDM4E
SCHEMBL24306636 0.74 CXCR4 (0.47) CXCR4DRD2DRD3ALDH1A1KCNH2
SCHEMBL21044060 0.73 FAAH (0.40) FAAHCXCR4DRD2DRD3ALDH1A1
SCHEMBL30218464 0.73 FAAH (0.40) FAAHCXCR4DRD2DRD3ALDH1A1
SCHEMBL3088489 0.72 GNE (0.53) ALDH1A1KDM4ESCN9ATSHRMAPK1
SCHEMBL3096653 0.71 PHGDH (0.74) PHGDHMGLLALDH1A1KDM4EHPGD

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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO 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 (1 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS FAAH 24/4885PHGDH 148/4885MGLL 1781/4885

“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.