SCHEMBL3092005

SCHEMBL3092005

O=C(Nc1cnc2ccccc2c1)N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
KDM4E B2RXH2 2/20 0.65
NPC1 O15118 2/20 0.65
HSD17B10 Q99714 2/20 0.65
TP53 P04637 1/20 0.65
RAB9A P51151 1/20 0.65
FAAH O00519 5/20 0.62
HPGDS O60760 5/20 0.59
CYP3A4 P08684 4/20 0.59
USP2 O75604 3/20 0.59
CYP1A2 P05177 1/20 0.59
TRPV1 Q8NER1 1/20 0.58
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
NAMPT P43490 1/20 0.54
KDR P35968 1/20 0.52

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
SCHEMBL13148296 0.81 HPGDS (0.80) SMN1; SMN2HPGDSCYP3A4USP2CYP1A2
SCHEMBL13148274 0.81 KCNQ3 (0.65) SMN1; SMN2HPGDSCYP3A4USP2CYP1A2
SCHEMBL3636697 0.77 NPC1 (0.68) SMN1; SMN2KDM4ENPC1HSD17B10TP53
SCHEMBL12508539 0.77 KDM4E (0.56) SMN1; SMN2KDM4ENPC1HSD17B10TP53
SCHEMBL3087846 0.77 HPGDS (0.78) SMN1; SMN2KDM4ENPC1RAB9AHPGDS
SCHEMBL13148047 0.77 HPGDS (0.75) SMN1; SMN2NPC1TP53RAB9AHPGDS
SCHEMBL13148152 0.77 CYP3A4 (0.71) SMN1; SMN2NPC1RAB9AFAAHHPGDS
SCHEMBL13545515 0.76 FAAH (1.00) FAAH
SCHEMBL458132 0.76 KDM4E (0.61) SMN1; SMN2KDM4ENPC1HSD17B10TP53
SCHEMBL13148048 0.76 HPGDS (0.74) SMN1; SMN2HPGDSCYP3A4USP2CYP1A2

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 SMN1; SMN2 1866/4885KDM4E 3580/4885NPC1 2733/4885

“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.