SCHEMBL460420

SCHEMBL460420

O=C(NC1CCN(c2ccc(CCn3ccnn3)cc2)CC1)N1CCC(=Cc2cc(F)ccc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.58
CCR3 P51677 7/20 0.37
SRD5A2 P31213 1/20 0.36
PRKAA2 P54646 1/20 0.35
F10 P00742 2/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL459804 0.78 MAPT (0.42) HPGDSCCR3SRD5A2
SCHEMBL459764 0.76 HPGDS (0.64) HPGDS
SCHEMBL14119466 0.75 HPGDS (0.71) HPGDS
SCHEMBL458225 0.74 ACKR3 (0.48) CCR3SRD5A2
SCHEMBL459347 0.74 ALDH1A1 (0.45) HPGDSCCR3SRD5A2
SCHEMBL14119653 0.73 HPGDS (0.69) HPGDS
SCHEMBL457669 0.72 HPGDS (0.44) HPGDSCCR3
SCHEMBL457742 0.72 ALDH1A1 (0.46) HPGDSCCR3SRD5A2PRKAA2
SCHEMBL458157 0.72 EPHX2 (0.43) HPGDSCCR3SRD5A2
SCHEMBL460136 0.72 ALDH1A1 (0.48) CCR3SRD5A2PRKAA2

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 HPGDS 5/4885CCR3 3502/4885SRD5A2 814/4885

“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.