SCHEMBL459348

SCHEMBL459348

O=C(NC1CCN(C(=O)c2cscn2)CC1)N1CCC(=Cc2cc(F)ccc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.43
POLB P06746 2/20 0.40
RIPK1 Q13546 1/20 0.38
CCR3 P51677 4/20 0.38
HRH1 P35367 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MGLL Q99685 2/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.36
PKM P14618 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL459850 0.86 EPHX2 (0.52) PARP1POLBRIPK1CCR3EPHX2
SCHEMBL459399 0.85 CCR3 (0.40) POLBCCR3HRH1CCNT1CDK9
SCHEMBL459909 0.83 CCR3 (0.40) CCR3HRH1
SCHEMBL460370 0.81 CCR3 (0.51) CCR3EPHX2
SCHEMBL459347 0.81 ALDH1A1 (0.45) POLBCCR3ALDH1A1EPHX2
SCHEMBL459356 0.81 CCR3 (0.53) CCR3MGLLEPHX2
SCHEMBL460548 0.81 EPHX2 (0.53) CCR3MGLLALDH1A1EPHX2
SCHEMBL460513 0.80 HPGDS (0.44) ALDH1A1
SCHEMBL457742 0.79 ALDH1A1 (0.46) POLBCCR3ALDH1A1EPHX2
SCHEMBL458157 0.79 EPHX2 (0.43) POLBCCR3ALDH1A1EPHX2

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 PARP1 912/4885POLB 574/4885RIPK1 4641/4885

“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.