SCHEMBL458611

SCHEMBL458611

O=C(O)c1cnc(NC(=O)N2CCC(=Cc3ccccn3)CC2)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 8/20 0.42
NAMPT P43490 2/20 0.41
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPY5R Q15761 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
FFAR2 O15552 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15051480 0.92 OGA (0.44) OGANAMPTNPC1RAB9APKM
Morpholine SCHEMBL17233473 0.91 CNR2 (0.42) OGANAMPTCNR2ALDH1A1NPY5R
SCHEMBL460193 0.88 GRM5 (0.44) OGANAMPTCNR2KDM4ENPC1
SCHEMBL459750 0.88 OGA (0.41) OGANAMPTKDM4EALDH1A1RAB9A
SCHEMBL458505 0.84 CNR2 (0.49) OGACNR2NPY5R
SCHEMBL460023 0.83 CSNK2A2 (0.46) OGANAMPTCNR2NPY5RNPC1
SCHEMBL27900548 0.82 CNR2 (0.39) OGACNR2KDM4EALDH1A1NPY5R
SCHEMBL458850 0.82 MAPT (0.50) NAMPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL460222 0.81 CNR2 (0.47) OGACNR2NPY5R
SCHEMBL460463 0.80 OGA (0.45) OGACNR2KDM4EALDH1A1NPY5R

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-103080086-B Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2014-11-05 CN 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
CN-103080086-A Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2013-05-01 CN 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 OGA 3365/4885NAMPT 386/4885CNR2 180/4885

“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.