SCHEMBL13148276

SCHEMBL13148276

O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.70
NAMPT P43490 2/20 0.64
CYP3A4 P08684 5/20 0.64
USP2 O75604 4/20 0.64
CYP1A2 P05177 1/20 0.64
EPHX2 P34913 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MLYCD O95822 1/20 0.59
ALDH1A1 P00352 4/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 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
SCHEMBL13148228 0.91 SMN1; SMN2 (0.73) HPGDSNAMPTCYP3A4USP2CYP1A2
SCHEMBL13148024 0.88 HPGDS (0.61) HPGDSNAMPTCYP3A4USP2CYP1A2
SCHEMBL13148296 0.88 HPGDS (0.80) HPGDSNAMPTCYP3A4USP2CYP1A2
SCHEMBL3076704 0.87 HPGDS (0.74) HPGDSNAMPTCYP3A4USP2CYP1A2
SCHEMBL13148282 0.86 HPGDS (0.73) HPGDSNAMPTCYP3A4USP2CYP1A2
SCHEMBL13148047 0.85 HPGDS (0.75) HPGDSNAMPTCYP3A4USP2CYP1A2
SCHEMBL13148048 0.84 HPGDS (0.74) HPGDSNAMPTCYP3A4USP2CYP1A2
SCHEMBL13148219 0.83 ALDH1A1 (0.64) HPGDSEPHX2SMN1; SMN2ALDH1A1HPGD
SCHEMBL13148118 0.83 NPC1 (0.60) HPGDSNAMPTCYP3A4USP2CYP1A2
SCHEMBL20237020 0.81 SMN1; SMN2 (0.68) CYP3A4USP2CYP1A2SMN1; SMN2ALDH1A1

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 2 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

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 1/4885NAMPT 53/4885CYP3A4 2577/4885

“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.