SCHEMBL460271

SCHEMBL460271

O=C(Nc1ccc(-c2cnc(NC(=O)N3CCC(=Cc4ccccn4)CC3)s2)cc1)c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.44
CNR2 P34972 1/20 0.41
NPY5R Q15761 2/20 0.39
GRM4 Q14833 1/20 0.39
CNR1 P21554 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PKM P14618 2/20 0.37
KDR P35968 1/20 0.36
AURKA O14965 1/20 0.36
FLT3 P36888 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KLF5 Q13887 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIM1 P11309 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
GRM1 Q13255 1/20 0.35
USP30 Q70CQ3 1/20 0.35
GSTO1 P78417 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
SCHEMBL459963 0.84 CNR2 (0.49) NAMPTCNR2NPY5RCNR1KDR
SCHEMBL460222 0.83 CNR2 (0.47) CNR2NPY5RKDRMKNK1USP30
SCHEMBL458505 0.82 CNR2 (0.49) CNR2NPY5RKDRMKNK1USP30
SCHEMBL27900552 0.82 GRM4 (0.37) NAMPTGRM4NPC1RAB9APKM
SCHEMBL460516 0.80 CNR2 (0.45) CNR2NPY5RRAB9AKDRMAPT
SCHEMBL460463 0.80 OGA (0.45) CNR2NPY5RKDRMAPTHTT
SCHEMBL459871 0.79 NPY5R (0.44) CNR2NPY5RKDRAURKAFLT3
SCHEMBL460070 0.79 KDR (0.46) CNR2NPY5RNPC1RAB9AKDR
SCHEMBL460254 0.78 CNR2 (0.44) CNR2NPY5RKDRMKNK1USP30
SCHEMBL459750 0.77 OGA (0.41) NAMPTRAB9AMAPTHTT

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 9 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
CN-103080086-B Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2014-11-05 CN 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
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 NAMPT 386/4885CNR2 180/4885NPY5R 1219/4885

“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.