SCHEMBL458109

SCHEMBL458109

O=C(Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cc1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.50
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 3/20 0.45
MAPT P10636 2/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KLF5 Q13887 1/20 0.45
POLB P06746 2/20 0.44
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAMPT P43490 3/20 0.43
LMNA P02545 2/20 0.43
KDR P35968 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL458121 0.92 NPC1 (0.47) GRM4NPC1RAB9AHTTMAPT
SCHEMBL459718 0.87 NAMPT (0.42) GRM4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL460017 0.83 PDGFRB (0.49) NPC1RAB9AMAPTPKMOPRK1
SCHEMBL459806 0.83 GLA (0.49) NPC1RAB9AHTTMAPTSMN1; SMN2
SCHEMBL460219 0.83 SMN1; SMN2 (0.51) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL28802153 0.83 GRM4 (0.46) GRM4NPC1RAB9AHTTMAPT
SCHEMBL17387429 0.81 KMT2A (0.48) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL458853 0.80 NAMPT (0.43) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL17387431 0.80 KMT2A (0.41) NPC1RAB9AMAPTPKMSMN1; SMN2
SCHEMBL459850 0.79 EPHX2 (0.52) NPC1POLBNAMPTGAA

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 GRM4 3193/4885NPC1 2377/4885RAB9A 3049/4885

“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.