SCHEMBL3094348

SCHEMBL3094348

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
GAA P10253 2/20 0.59
NPY2R P49146 2/20 0.54
HPGDS O60760 1/20 0.53
USP2 O75604 5/20 0.52
CYP3A4 P08684 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NAMPT P43490 1/20 0.52
CYP1A2 P05177 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL13148001 0.86 NPY2R (0.61) MAPTGAANPY2RHPGDSUSP2
SCHEMBL13180534 0.85 HPGDS (0.61) MAPTGAANPY2RHPGDSUSP2
SCHEMBL13147991 0.84 NPY2R (0.59) MAPTGAANPY2RHPGDSUSP2
SCHEMBL13180465 0.83 NPY2R (0.58) MAPTGAANPY2RHPGDSUSP2
SCHEMBL13147994 0.83 NPY2R (0.66) MAPTGAANPY2RHPGDSUSP2
SCHEMBL3081069 0.83 CYP3A4 (0.62) MAPTGAANPY2RHPGDSUSP2
SCHEMBL13147992 0.82 HPGDS (0.60) MAPTGAANPY2RHPGDSUSP2
SCHEMBL3085763 0.82 NPY2R (0.61) MAPTGAANPY2RHPGDSUSP2
SCHEMBL3076570 0.81 NPY2R (0.55) MAPTGAANPY2RHPGDSUSP2
SCHEMBL3086924 0.80 EPHX2 (0.55) MAPTGAANPY2RHPGDSUSP2

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

“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.