SCHEMBL3085763

SCHEMBL3085763

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 4/20 0.61
HPGDS O60760 1/20 0.57
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.56
USP2 O75604 4/20 0.53
CYP3A4 P08684 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NAMPT P43490 2/20 0.53
CYP1A2 P05177 1/20 0.50
LMNA P02545 1/20 0.50
EPHX2 P34913 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
S1PR2 O95136 1/20 0.48
POLB P06746 1/20 0.48

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 0.92 NPY2R (0.59) NPY2RHPGDSMAPTGAAUSP2
SCHEMBL13147994 0.89 NPY2R (0.66) NPY2RHPGDSMAPTGAAUSP2
SCHEMBL3076570 0.88 NPY2R (0.55) NPY2RHPGDSMAPTGAAUSP2
SCHEMBL13148001 0.88 NPY2R (0.61) NPY2RHPGDSMAPTGAAUSP2
SCHEMBL13180534 0.86 HPGDS (0.61) NPY2RHPGDSMAPTGAAUSP2
SCHEMBL3085587 0.86 MEN1 (0.50) NPY2RMAPTNAMPTLMNAMEN1
SCHEMBL13180465 0.85 NPY2R (0.58) NPY2RHPGDSMAPTGAAUSP2
SCHEMBL3081069 0.85 CYP3A4 (0.62) NPY2RHPGDSMAPTGAAUSP2
SCHEMBL13147992 0.84 HPGDS (0.60) NPY2RHPGDSMAPTGAAUSP2
SCHEMBL221577 0.83 LMNA (0.70) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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 922/4885HPGDS 1/4885MAPT 4774/4885

“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.