SCHEMBL459963

SCHEMBL459963

O=C(Nc1ccc(-c2cnc(NC(=O)N3CCC(=Cc4ccccn4)CC3)s2)cc1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
UCHL1 P09936 2/20 0.44
USP30 Q70CQ3 2/20 0.43
NPY5R Q15761 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
OGA O60502 2/20 0.39
CNR1 P21554 1/20 0.39
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
NAMPT P43490 1/20 0.38
DGAT1 O75907 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38

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
SCHEMBL460222 0.86 CNR2 (0.47) CNR2MKNK1UCHL1USP30NPY5R
SCHEMBL458505 0.85 CNR2 (0.49) CNR2MKNK1UCHL1USP30NPY5R
SCHEMBL460271 0.84 NAMPT (0.44) CNR2MKNK1USP30NPY5RCNR1
SCHEMBL460516 0.83 CNR2 (0.45) CNR2MKNK1NPY5ROGAKDR
SCHEMBL460463 0.83 OGA (0.45) CNR2MKNK1USP30NPY5ROGA
SCHEMBL460070 0.80 KDR (0.46) CNR2NPY5RKDRFLT3
SCHEMBL459871 0.80 NPY5R (0.44) CNR2MKNK1USP30NPY5ROGA
SCHEMBL460254 0.79 CNR2 (0.44) CNR2MKNK1USP30NPY5ROGA
SCHEMBL458766 0.77 CNR2 (0.40) CNR2MKNK1NPY5ROGA
SCHEMBL458611 0.77 OGA (0.42) CNR2NPY5ROGANAMPT

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 CNR2 180/4885MKNK1 4392/4885UCHL1 3124/4885

“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.