SCHEMBL9899569

SCHEMBL9899569

Cc1cc(C)nc(NC[C@@H]2CC[C@H](C)CN2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 3/20 0.36
VCP P55072 6/20 0.35
ATM Q13315 1/20 0.34
ALPL P05186 1/20 0.34
ALPG P10696 1/20 0.34
PLAA Q9Y263 1/20 0.34
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3390357 0.77 KMT2A (0.38) KMT2AMEN1MAPK1GAALMNA
SCHEMBL3390358 0.77 KMT2A (0.38) KMT2AMEN1MAPK1GAALMNA
SCHEMBL9900511 0.72 HCRTR1 (0.37)
SCHEMBL9899444 0.70 SSTR4 (0.32)
SCHEMBL933950 0.70 CYP3A4 (0.39) KMT2AMEN1MAPK1GAALMNA
SCHEMBL933948 0.70 CYP3A4 (0.39) KMT2AMEN1MAPK1GAALMNA
SCHEMBL9899468 0.69 HCRTR1 (0.36)
SCHEMBL16530794 0.69 CYP3A4 (0.39) KMT2AMEN1MAPK1GAAKDM4E
SCHEMBL16530797 0.69 CYP3A4 (0.39) KMT2AMEN1MAPK1GAAKDM4E
SCHEMBL13136076 0.68

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
EP-2470525-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-07-04 EP disclosed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US disclosed
US-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED 2012-06-14 US 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-20120149711-A1 PIPERIDINE DERIVATIVES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, OXTR KMT2A 372/4885MEN1 1152/4885MAPK1 2970/4885

“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.