SCHEMBL3086645

SCHEMBL3086645

COC(=O)c1cccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.68
USP2 O75604 7/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
CYP1A2 P05177 4/20 0.64
HPGDS O60760 1/20 0.64
ALDH1A1 P00352 4/20 0.60
TSHR P16473 4/20 0.60
MAPK1 P28482 1/20 0.58
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
NAMPT P43490 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL3089960 0.87 HPGDS (0.61) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL3093638 0.87 HPGDS (0.62) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL3075168 0.87 HPGDS (0.62) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148140 0.86 CYP3A4 (0.71) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148160 0.83 CYP3A4 (0.71) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148043 0.83 CYP3A4 (0.71) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148296 0.83 HPGDS (0.80) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148152 0.82 CYP3A4 (0.71) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL13148144 0.81 CYP3A4 (0.86) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS
SCHEMBL3076510 0.80 LMNA (0.66) CYP3A4USP2SMN1; SMN2CYP1A2HPGDS

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 8 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
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
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 CYP3A4 2577/4885USP2 3860/4885SMN1; SMN2 1866/4885

“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.