SCHEMBL458225

SCHEMBL458225

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.48
CCR3 P51677 12/20 0.43
SIGMAR1 Q99720 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SRD5A2 P31213 2/20 0.40
DPP7 Q9UHL4 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL457669 0.88 HPGDS (0.44) CCR3SIGMAR1L3MBTL1CYP2D6
SCHEMBL459775 0.88 SRD5A2 (0.44) CCR3SRD5A2
SCHEMBL459347 0.85 ALDH1A1 (0.45) CCR3SRD5A2
SCHEMBL458159 0.84 EPHX2 (0.46) ACKR3CCR3SRD5A2
SCHEMBL459660 0.83 ALDH1A1 (0.46) CCR3L3MBTL1SRD5A2DPP7
SCHEMBL457742 0.83 ALDH1A1 (0.46) CCR3L3MBTL1SRD5A2
SCHEMBL458157 0.83 EPHX2 (0.43) CCR3SRD5A2
SCHEMBL460136 0.83 ALDH1A1 (0.48) CCR3SRD5A2
Hydrochloric Acid SCHEMBL460442 0.83 ACKR3 (0.41) ACKR3CCR3SRD5A2
SCHEMBL460097 0.82 DRD2 (0.42) CCR3SRD5A2

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 ACKR3 3159/4885CCR3 3502/4885SIGMAR1 1092/4885

“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.