SCHEMBL460548

SCHEMBL460548

O=C(NC1CCN(C(=O)c2cccc(F)c2)CC1)N1CCC(=Cc2cc(F)ccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
CCR3 P51677 4/20 0.52
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GRM5 P41594 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 3/20 0.44
USP2 O75604 2/20 0.44
HPGDS O60760 1/20 0.44
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL460370 0.93 CCR3 (0.51) EPHX2CCR3HSD11B1KMT2A
SCHEMBL459356 0.86 CCR3 (0.53) EPHX2CCR3HSD11B1KMT2AMGLL
SCHEMBL459909 0.85 CCR3 (0.40) CCR3HPGDS
SCHEMBL459347 0.85 ALDH1A1 (0.45) EPHX2CCR3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL460513 0.84 HPGDS (0.44) ALDH1A1KMT2ASMN1; SMN2TDP1HPGDS
SCHEMBL460471 0.83 NPC1 (0.53) ALDH1A1KMT2ASMN1; SMN2USP2HPGD
SCHEMBL459850 0.83 EPHX2 (0.52) EPHX2CCR3
SCHEMBL460179 0.83 USP2 (0.46) CCR3KMT2ACYP3A4USP2HPGDS
SCHEMBL457742 0.83 ALDH1A1 (0.46) EPHX2CCR3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL458157 0.83 EPHX2 (0.43) EPHX2CCR3ALDH1A1KMT2AUSP2

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 255/4885CCR3 3502/4885HSD11B1 341/4885

“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.