SCHEMBL2517432

SCHEMBL2517432

Cc1cccn2c(I)c(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.41
METTL3 Q86U44 1/20 0.41
KDM1A O60341 1/20 0.39
PRMT5 O14744 1/20 0.39
PARP1 P09874 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHEK2 O96017 1/20 0.37
HCRTR2 O43614 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRD1 P41143 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL2512520 0.91 PDE8B (0.42) PDE8BMETTL3KDM1APRMT5PARP1
SCHEMBL2124842 0.90 PDE8B (0.40) PDE8BMETTL3KDM1APRMT5PARP1
SCHEMBL2124396 0.89 PDE8B (0.41) PDE8BMETTL3KDM1APRMT5PARP1
SCHEMBL3472074 0.86 SMN1; SMN2 (0.38) LMNASMN1; SMN2ALDH1A1TP53MEN1
SCHEMBL2123536 0.85 METTL3 (0.48) PDE8BMETTL3KDM1APRMT5PARP1
SCHEMBL2512568 0.82 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1TP53MEN1
SCHEMBL2120886 0.81 PDE8B (0.41) PDE8BMETTL3KDM1APRMT5PARP1
SCHEMBL2121861 0.79 KDM4E (0.53) PDE8BMETTL3KDM1APRMT5LMNA
SCHEMBL2128347 0.79 PDE8B (0.40) PDE8BMETTL3KDM1APRMT5PARP1
SCHEMBL2124328 0.78 METTL3 (0.49) PDE8BMETTL3KDM1APRMT5PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 PDE8B 2642/4885METTL3 4408/4885KDM1A 977/4885

“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.