SCHEMBL2120840

SCHEMBL2120840

CC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cn2cc(C(F)(F)F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 2/20 0.47
TRPV1 Q8NER1 2/20 0.41
PDE8B O95263 1/20 0.40
MCHR1 Q99705 5/20 0.39
EIF2AK4 Q9P2K8 2/20 0.39
OPRD1 P41143 1/20 0.39
KDM1A O60341 1/20 0.39
CHEK2 O96017 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
PRMT5 O14744 1/20 0.36

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
SCHEMBL4153904 0.87 MCHR1 (0.42) METTL3MCHR1OPRD1KDM4ENPC1
SCHEMBL2120937 0.87 METTL3 (0.44) METTL3TRPV1PDE8BOPRD1KDM1A
SCHEMBL24360203 0.84 EIF2AK4 (0.43) METTL3TRPV1MCHR1EIF2AK4MAPT
SCHEMBL31516089 0.84 EIF2AK4 (0.43) METTL3TRPV1MCHR1EIF2AK4MAPT
SCHEMBL2121708 0.83 METTL3 (0.54) METTL3PDE8BOPRD1KDM1AKDM4E
SCHEMBL4166548 0.81 MAPT (0.39) METTL3MCHR1EIF2AK4MAPTKDM4E
SCHEMBL2512853 0.81 METTL3 (0.45) METTL3PDE8BKDM1ACHEK2MAPT
SCHEMBL2122898 0.80 METTL3 (0.43) METTL3TRPV1PDE8BKDM1ACHEK2
SCHEMBL2120295 0.78 TLR9 (0.45) METTL3PDE8BCHEK2KDM4ENPC1
SCHEMBL2533053 0.78 METTL3 (0.43) METTL3TRPV1PDE8BOPRD1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
WO-2009003993-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 METTL3 4309/4885TRPV1 105/4885PDE8B 3453/4885

“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.