SCHEMBL458241

SCHEMBL458241

O=C(Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cn1)c1cscn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.40
GPR6 P46095 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
PIM1 P11309 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL459718 0.92 NAMPT (0.42) NAMPTGPR6MAPTRAB9ANPC1
SCHEMBL458121 0.88 NPC1 (0.47) NAMPTMAPTRAB9ANPC1KMT2A
SCHEMBL28805579 0.82 GPR6 (0.34) GPR6RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15052036 0.80 CYP3A4 (0.42) NAMPTCYP3A4CYP2D6MAPTKMT2A
SCHEMBL458109 0.79 GRM4 (0.50) NAMPTMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17387431 0.79 KMT2A (0.41) CYP3A4CYP2D6MAPTRAB9ANPC1
SCHEMBL28802187 0.77 GRM4 (0.37) NAMPTGPR6MAPTRAB9ANPC1
SCHEMBL459348 0.76 PARP1 (0.43) NAMPTALDH1A1PKM
SCHEMBL458853 0.75 NAMPT (0.43) NAMPTMAPTRAB9ANPC1KMT2A
SCHEMBL17387429 0.74 KMT2A (0.48) MAPTRAB9ANPC1KMT2ASMN1; SMN2

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 NAMPT 386/4885GPR6 2694/4885CYP3A4 1379/4885

“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.