SCHEMBL13147992

SCHEMBL13147992

O=C(Nc1ccc(N2CCNCC2)c(F)c1)N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.60
CYP3A4 P08684 9/20 0.58
USP2 O75604 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPY2R P49146 2/20 0.56
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
NAMPT P43490 2/20 0.55
CYP1A2 P05177 3/20 0.54
ALDH1A1 P00352 4/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL13180534 0.89 HPGDS (0.61) HPGDSCYP3A4USP2SMN1; SMN2NPY2R
SCHEMBL13148001 0.88 NPY2R (0.61) HPGDSCYP3A4USP2SMN1; SMN2NPY2R
SCHEMBL13147991 0.86 NPY2R (0.59) HPGDSCYP3A4USP2SMN1; SMN2NPY2R
SCHEMBL3081069 0.85 CYP3A4 (0.62) HPGDSCYP3A4USP2SMN1; SMN2NPY2R
SCHEMBL13180465 0.85 NPY2R (0.58) HPGDSCYP3A4USP2SMN1; SMN2NPY2R
SCHEMBL13147994 0.85 NPY2R (0.66) HPGDSCYP3A4USP2SMN1; SMN2NPY2R
SCHEMBL3085763 0.84 NPY2R (0.61) HPGDSCYP3A4USP2SMN1; SMN2NPY2R
SCHEMBL3086924 0.84 EPHX2 (0.55) HPGDSCYP3A4USP2SMN1; SMN2NPY2R
SCHEMBL3076570 0.83 NPY2R (0.55) HPGDSCYP3A4USP2SMN1; SMN2NPY2R
SCHEMBL3094348 0.82 MAPT (0.59) HPGDSCYP3A4USP2SMN1; SMN2NPY2R

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.