SCHEMBL460598

SCHEMBL460598

O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCC(=Cc2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.52
MAPT P10636 8/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
POLB P06746 1/20 0.50
STAT1 P42224 1/20 0.50
MCL1 Q07820 1/20 0.50
ACP1 P24666 2/20 0.49
AHR P35869 1/20 0.49
HTT P42858 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
NOD2 Q9HC29 1/20 0.47

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
SCHEMBL460334 0.87 TRPV1 (0.47) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL460061 0.85 HPGDS (0.55) DYRK1AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL458334 0.83 ITK (0.51) DYRK1AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL458775 0.82 SMN1; SMN2 (0.57) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL459961 0.82 PIK3CG (0.46) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL458364 0.81 TRPV1 (0.44) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL458913 0.81 PIK3CG (0.56) SMN1; SMN2LMNAKMT2AMEN1NPC1
SCHEMBL460516 0.81 CNR2 (0.45) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL458405 0.78 ABL1 (0.47) MAPTALDH1A1POLB
SCHEMBL460191 0.78 RAB9A (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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 5 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
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 DYRK1A 4757/4885MAPT 4841/4885ALDH1A1 157/4885

“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.