SCHEMBL459850

SCHEMBL459850

O=C(NC1CCN(C(=O)c2ccccn2)CC1)N1CCC(=Cc2cc(F)ccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
EPHX1 P07099 1/20 0.48
PARP1 P09874 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
SFRP1 Q8N474 1/20 0.42
GAA P10253 1/20 0.42
RBP4 P02753 2/20 0.41
CCR3 P51677 2/20 0.40
SYK P43405 1/20 0.40
KDM5A P29375 1/20 0.39
NAMPT P43490 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
NPC1 O15118 1/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL459399 0.88 CCR3 (0.40) EPHX2POLBCCR3
SCHEMBL460605 0.87 NPC1 (0.43) BCHEACHEBACE1NPC1
SCHEMBL459909 0.87 CCR3 (0.40) CCR3
SCHEMBL459348 0.86 PARP1 (0.43) EPHX2PARP1POLBCCR3NAMPT
SCHEMBL460370 0.86 CCR3 (0.51) EPHX2EPHX1CCR3
SCHEMBL460042 0.85 KMT2A (0.40) CCR3KDM5A
SCHEMBL459356 0.85 CCR3 (0.53) EPHX2GAACCR3NPC1
SCHEMBL460548 0.83 EPHX2 (0.53) EPHX2CCR3
SCHEMBL460471 0.82 NPC1 (0.53) NPC1
SCHEMBL459347 0.81 ALDH1A1 (0.45) EPHX2POLBCCR3NPC1

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-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US claimed
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR EPHX2 255/4885EPHX1 194/4885PARP1 912/4885

“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.