SCHEMBL16371997

SCHEMBL16371997

COC(=O)c1ccc(OCC(C)(C)F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.54
PDK1 Q15118 2/20 0.51
PDK2 Q15119 2/20 0.51
PDK3 Q15120 2/20 0.51
PDK4 Q16654 2/20 0.51
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOTUM Q6P988 2/20 0.46
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42

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
SCHEMBL15350948 0.92 MRGPRX4 (0.54) MRGPRX4PDK1PDK2PDK3PDK4
SCHEMBL1013847 0.90 MRGPRX4 (0.58) MRGPRX4PDK1PDK2PDK3PDK4
SCHEMBL16372290 0.87 MRGPRX4 (0.49) MRGPRX4PDK1PDK2PDK3PDK4
SCHEMBL16371845 0.86 RXRA (0.53) MRGPRX4PDK1PDK2PDK3PDK4
SCHEMBL16371917 0.84 NOTUM (0.53) MRGPRX4PDK1PDK2PDK3PDK4
SCHEMBL11894350 0.84 MAPT (0.57) MAPTSMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL10543265 0.82 S1PR4 (0.56) MRGPRX4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1398536 0.81 MEN1 (0.59) MRGPRX4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12800816 0.80 MAPT (0.51) MRGPRX4MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4834197 0.79 KDM4E (0.52) MRGPRX4MAPTSMN1; SMN2MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 US disclosed
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 US disclosed
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED 2016-06-09 US disclosed
EP-3019478-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-05-18 EP disclosed
WO-2015006280-A9 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-14 WO disclosed
WO-2015006280-A9 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-14 WO disclosed
WO-2015006280-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 WO disclosed
WO-2015006280-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 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 (2 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-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 MRGPRX4 998/4885PDK1 1680/4885PDK2 1994/4885
US-20160159815-A1 Fused Piperidine Amides as Modulators of Ion Channels TRPV1, TRPA1, KCNJ2 MRGPRX4 998/4885PDK1 1680/4885PDK2 1994/4885

“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.