SCHEMBL458850

SCHEMBL458850

O=C(Nc1ccc(N2CCCCC2)cc1)c1cnc(NC(=O)N2CCC(=Cc3ccccn3)CC2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.50
RAB9A P51151 13/20 0.50
NPC1 O15118 11/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
KLF5 Q13887 1/20 0.50
ALDH1A1 P00352 6/20 0.43
GFER P55789 4/20 0.42
TP53 P04637 3/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RY1 P47900 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL459750 0.87 OGA (0.41) MAPTRAB9AHTTALDH1A1MAPK1
SCHEMBL460193 0.84 GRM5 (0.44) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL460287 0.83 ALDH1A1 (0.53) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL458611 0.82 OGA (0.42) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL457698 0.80 NAMPT (0.40) MAPTALDH1A1NAMPTKDM4EHPGDS
SCHEMBL15051480 0.80 OGA (0.44) RAB9ANPC1SMN1; SMN2PKMLMNA
Morpholine SCHEMBL17233473 0.76 CNR2 (0.42) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL460271 0.75 NAMPT (0.44) MAPTRAB9ANPC1SMN1; SMN2PKM
SCHEMBL459963 0.74 CNR2 (0.49) TDP1NAMPT
SCHEMBL458637 0.73 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2HTT

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 MAPT 4841/4885RAB9A 3049/4885NPC1 2377/4885

“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.