SCHEMBL458157

SCHEMBL458157

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
EPHX1 P07099 4/20 0.43
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KDM1A O60341 1/20 0.38
HPGDS O60760 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
SRD5A2 P31213 1/20 0.38
CCR3 P51677 3/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL458768 0.92 HPGDS (0.41) EPHX2EPHX1ALDH1A1POLBKMT2A
SCHEMBL460097 0.91 DRD2 (0.42) ALDH1A1POLBKMT2ANPC1HPGDS
SCHEMBL459347 0.87 ALDH1A1 (0.45) EPHX2ALDH1A1POLBKMT2ANPC1
SCHEMBL457669 0.86 HPGDS (0.44) KDM1AHPGDSCCR3
SCHEMBL457742 0.85 ALDH1A1 (0.46) EPHX2ALDH1A1POLBKMT2ANPC1
SCHEMBL460136 0.85 ALDH1A1 (0.48) EPHX2ALDH1A1POLBKMT2ANPC1
SCHEMBL459775 0.85 SRD5A2 (0.44) ALDH1A1POLBKMT2ANPC1CNR1
SCHEMBL459660 0.85 ALDH1A1 (0.46) ALDH1A1POLBKMT2ANPC1CNR1
SCHEMBL459705 0.85 HPGDS (0.53) EPHX2EPHX1ALDH1A1NPC1HPGDS
SCHEMBL458154 0.84 CCR3 (0.41) ALDH1A1POLBKMT2ANPC1HPGDS

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 194/4885ALDH1A1 157/4885

“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.