SCHEMBL3076570

SCHEMBL3076570

CC(C)OC(=O)N1CCN(c2ccc(NC(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 1/20 0.55
HPGDS O60760 1/20 0.54
CYP3A4 P08684 6/20 0.52
USP2 O75604 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NAMPT P43490 2/20 0.52
CYP1A2 P05177 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A9 P48067 1/20 0.46

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
SCHEMBL13147991 0.91 NPY2R (0.59) NPY2RMAPTGAAHPGDSCYP3A4
SCHEMBL3085763 0.88 NPY2R (0.61) NPY2RMAPTGAAHPGDSCYP3A4
SCHEMBL3081069 0.88 CYP3A4 (0.62) NPY2RMAPTGAAHPGDSCYP3A4
SCHEMBL13148001 0.87 NPY2R (0.61) NPY2RMAPTGAAHPGDSCYP3A4
SCHEMBL13180534 0.86 HPGDS (0.61) NPY2RMAPTGAAHPGDSCYP3A4
SCHEMBL13147994 0.84 NPY2R (0.66) NPY2RMAPTGAAHPGDSCYP3A4
SCHEMBL13180465 0.84 NPY2R (0.58) NPY2RMAPTGAAHPGDSCYP3A4
SCHEMBL13147992 0.83 HPGDS (0.60) NPY2RMAPTGAAHPGDSCYP3A4
SCHEMBL3094348 0.81 MAPT (0.59) NPY2RMAPTGAAHPGDSCYP3A4
SCHEMBL3086924 0.81 EPHX2 (0.55) NPY2RMAPTGAAHPGDSCYP3A4

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 6 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
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 NPY2R 922/4885MAPT 4774/4885GAA 1250/4885

“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.