SCHEMBL458121

SCHEMBL458121

O=C(Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cn1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
TP53 P04637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 3/20 0.47
NAMPT P43490 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM4 Q14833 6/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
AGTR1 P30556 1/20 0.41
OPRK1 P41145 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL458109 0.92 GRM4 (0.50) NPC1RAB9APKMNAMPTSMN1; SMN2
SCHEMBL458241 0.88 NAMPT (0.40) NPC1RAB9AALDH1A1PKMNAMPT
SCHEMBL15052036 0.81 CYP3A4 (0.42) NAMPTMAPTMEN1KMT2A
SCHEMBL28805605 0.81 GRM4 (0.40) NPC1RAB9ATP53ALDH1A1PKM
SCHEMBL17387431 0.80 KMT2A (0.41) NPC1RAB9AALDH1A1PKMSMN1; SMN2
SCHEMBL459718 0.79 NAMPT (0.42) NPC1RAB9ANAMPTSMN1; SMN2MAPT
SCHEMBL460017 0.78 PDGFRB (0.49) NPC1RAB9AALDH1A1PKMMAPT
SCHEMBL460219 0.78 SMN1; SMN2 (0.51) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL459806 0.78 GLA (0.49) NPC1RAB9ATP53ALDH1A1SMN1; SMN2
SCHEMBL458132 0.78 KDM4E (0.61) NPC1RAB9ATP53SMN1; SMN2HSD17B10

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 NPC1 2377/4885RAB9A 3049/4885TP53 4717/4885

“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.