SCHEMBL3086788

SCHEMBL3086788

O=C(O)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.65
CYP3A4 P08684 12/20 0.64
USP2 O75604 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
CYP1A2 P05177 4/20 0.62
TSHR P16473 4/20 0.57
MAPK1 P28482 1/20 0.57
NAMPT P43490 1/20 0.57
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.52
FAAH O00519 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
SCHEMBL13148029 0.90 HPGDS (0.64) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2
SCHEMBL3075168 0.88 HPGDS (0.62) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2
SCHEMBL13148024 0.87 HPGDS (0.61) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2
SCHEMBL3076704 0.86 HPGDS (0.74) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2
SCHEMBL13148106 0.85 HPGDS (0.67) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2
SCHEMBL13148296 0.84 HPGDS (0.80) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2
SCHEMBL13180534 0.83 HPGDS (0.61) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2
SCHEMBL13148152 0.81 CYP3A4 (0.71) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2
SCHEMBL13148054 0.81 HPGDS (0.65) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2
SCHEMBL3093638 0.81 HPGDS (0.62) HPGDSCYP3A4USP2SMN1; SMN2CYP1A2

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 8 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

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.