SCHEMBL3076704

SCHEMBL3076704

O=C(O)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.74
CYP3A4 P08684 10/20 0.71
USP2 O75604 6/20 0.71
CYP1A2 P05177 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.65
TSHR P16473 3/20 0.65
MAPK1 P28482 1/20 0.65
NAMPT P43490 4/20 0.64
CYP2C19 P33261 1/20 0.60
ALDH1A1 P00352 2/20 0.58
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54

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
SCHEMBL13148296 0.91 HPGDS (0.80) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148282 0.89 HPGDS (0.73) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL3075272 0.89 HPGDS (0.65) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148047 0.88 HPGDS (0.75) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148048 0.88 HPGDS (0.74) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148276 0.87 HPGDS (0.70) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL3086788 0.86 HPGDS (0.65) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148293 0.83 HPGDS (0.76) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148287 0.83 HPGDS (0.69) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148051 0.83 CYP3A4 (0.65) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2

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 9 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 claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
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
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
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 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.