SCHEMBL3086924

SCHEMBL3086924

O=C(Nc1ccc(N2CCN(C(=O)NC3CCCC3)CC2)c(F)c1)N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
HPGDS O60760 1/20 0.55
ALDH1A1 P00352 3/20 0.54
NPY2R P49146 2/20 0.54
CYP3A4 P08684 6/20 0.53
USP2 O75604 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
NAMPT P43490 1/20 0.53
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 2/20 0.50
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47

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 0.86 HPGDS (0.61) HPGDSALDH1A1NPY2RCYP3A4USP2
SCHEMBL13148001 0.85 NPY2R (0.61) HPGDSALDH1A1NPY2RCYP3A4USP2
SCHEMBL3081069 0.85 CYP3A4 (0.62) HPGDSALDH1A1NPY2RCYP3A4USP2
SCHEMBL13147991 0.84 NPY2R (0.59) HPGDSALDH1A1NPY2RCYP3A4USP2
SCHEMBL13147992 0.84 HPGDS (0.60) HPGDSALDH1A1NPY2RCYP3A4USP2
SCHEMBL13147994 0.83 NPY2R (0.66) HPGDSALDH1A1NPY2RCYP3A4USP2
SCHEMBL13180465 0.83 NPY2R (0.58) HPGDSALDH1A1NPY2RCYP3A4USP2
SCHEMBL3085763 0.81 NPY2R (0.61) EPHX2HPGDSALDH1A1NPY2RCYP3A4
SCHEMBL3076570 0.81 NPY2R (0.55) HPGDSALDH1A1NPY2RCYP3A4USP2
SCHEMBL3094348 0.80 MAPT (0.59) HPGDSALDH1A1NPY2RCYP3A4USP2

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 4 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
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 EPHX2 381/4885HPGDS 1/4885ALDH1A1 614/4885

“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.