SCHEMBL458766

SCHEMBL458766

O=C(Nc1ncc(-c2ccc(Br)cn2)s1)N1CCC(=Cc2ccccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
NPY5R Q15761 2/20 0.38
OGA O60502 5/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FFAR2 O15552 1/20 0.34
PANK3 Q9H999 1/20 0.34
GRM5 P41594 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL460023 0.88 CSNK2A2 (0.46) CNR2NPY5ROGANPC1RAB9A
SCHEMBL457632 0.86 OGA (0.42) CNR2NPY5ROGANPC1RAB9A
SCHEMBL460222 0.81 CNR2 (0.47) CNR2NPY5ROGAMKNK1GSTO1
SCHEMBL458505 0.81 CNR2 (0.49) CNR2NPY5ROGAMKNK1GSTO1
SCHEMBL458611 0.80 OGA (0.42) CNR2NPY5ROGANPC1RAB9A
SCHEMBL460463 0.79 OGA (0.45) CNR2NPY5ROGAMKNK1GSTO1
SCHEMBL460516 0.79 CNR2 (0.45) CNR2NPY5ROGARAB9AMKNK1
SCHEMBL15051480 0.78 OGA (0.44) OGANPC1RAB9ASMN1; SMN2FFAR2
SCHEMBL460061 0.78 HPGDS (0.55) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL459963 0.77 CNR2 (0.49) CNR2NPY5ROGAMKNK1

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 CNR2 180/4885NPY5R 1219/4885OGA 3365/4885

“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.