SCHEMBL3089960

SCHEMBL3089960

COC(=O)c1cccc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.61
CYP3A4 P08684 5/20 0.61
USP2 O75604 4/20 0.61
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
NAMPT P43490 4/20 0.53
KMT2A Q03164 1/20 0.52
S1PR2 O95136 1/20 0.52
EPHX2 P34913 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL3086645 0.87 CYP3A4 (0.68) HPGDSCYP3A4USP2ALDH1A1CYP1A2
SCHEMBL3075272 0.86 HPGDS (0.65) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148296 0.86 HPGDS (0.80) HPGDSCYP3A4USP2ALDH1A1CYP1A2
SCHEMBL13148124 0.85 HPGDS (0.64) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148228 0.84 SMN1; SMN2 (0.73) HPGDSCYP3A4USP2ALDH1A1CYP1A2
SCHEMBL13148240 0.83 CYP3A4 (0.65) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148237 0.83 HPGDS (0.64) HPGDSCYP3A4USP2CYP1A2SMN1; SMN2
SCHEMBL13148231 0.82 HPGDS (0.57) HPGDSCYP3A4USP2ALDH1A1CYP1A2
SCHEMBL3093638 0.81 HPGDS (0.62) HPGDSCYP3A4USP2ALDH1A1CYP1A2
SCHEMBL3075168 0.81 HPGDS (0.62) HPGDSCYP3A4USP2ALDH1A1CYP1A2

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 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
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 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.