SCHEMBL13148024

SCHEMBL13148024

O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.61
CYP3A4 P08684 7/20 0.59
USP2 O75604 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
EPHX2 P34913 3/20 0.58
NAMPT P43490 1/20 0.56
CYP1A2 P05177 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL13148276 0.88 HPGDS (0.70) HPGDSCYP3A4USP2SMN1; SMN2EPHX2
SCHEMBL3086788 0.87 HPGDS (0.65) HPGDSCYP3A4USP2SMN1; SMN2NAMPT
SCHEMBL13148029 0.86 HPGDS (0.64) HPGDSCYP3A4USP2SMN1; SMN2NAMPT
SCHEMBL3075168 0.84 HPGDS (0.62) HPGDSCYP3A4USP2SMN1; SMN2NAMPT
SCHEMBL13148228 0.83 SMN1; SMN2 (0.73) HPGDSCYP3A4USP2SMN1; SMN2EPHX2
SCHEMBL13148106 0.81 HPGDS (0.67) HPGDSCYP3A4USP2SMN1; SMN2NAMPT
SCHEMBL13148296 0.81 HPGDS (0.80) HPGDSCYP3A4USP2SMN1; SMN2NAMPT
SCHEMBL20237020 0.79 SMN1; SMN2 (0.68) CYP3A4USP2SMN1; SMN2CYP1A2NPC1
SCHEMBL13148118 0.79 NPC1 (0.60) HPGDSCYP3A4USP2SMN1; SMN2NAMPT
SCHEMBL13148054 0.78 HPGDS (0.65) HPGDSCYP3A4USP2SMN1; SMN2NAMPT

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 2 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
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 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 (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 HPGDS 1/4885CYP3A4 2577/4885USP2 3860/4885

“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.