SCHEMBL311400

SCHEMBL311400

Cc1ccn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.42
PDE8B O95263 1/20 0.41
KDM1A O60341 1/20 0.39
CHEK2 O96017 1/20 0.38
PRMT5 O14744 1/20 0.37
ATM Q13315 2/20 0.36
HCRTR2 O43614 1/20 0.36
F2RL3 Q96RI0 2/20 0.36
GRM5 P41594 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SUV39H2 Q9H5I1 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRD1 P41143 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 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
SCHEMBL3251052 0.86 PDE8B (0.38) PDE8BHCRTR2L3MBTL1LMNA
SCHEMBL7797391 0.84 KDM4E (0.44) METTL3PDE8BKDM1ACHEK2PRMT5
SCHEMBL2538398 0.83 PDE8B (0.42) METTL3PDE8BKDM1ACHEK2PRMT5
SCHEMBL2121708 0.82 METTL3 (0.54) METTL3PDE8BKDM1APRMT5HCRTR2
SCHEMBL2121861 0.82 KDM4E (0.53) METTL3PDE8BKDM1APRMT5LMNA
SCHEMBL2120295 0.81 TLR9 (0.45) METTL3PDE8BCHEK2F2RL3L3MBTL1
SCHEMBL2120937 0.80 METTL3 (0.44) METTL3PDE8BKDM1ACHEK2PRMT5
SCHEMBL2512853 0.80 METTL3 (0.45) METTL3PDE8BKDM1ACHEK2PRMT5
SCHEMBL86245 0.80 PDE8B (0.42) METTL3PDE8BKDM1ACHEK2PRMT5
SCHEMBL12225864 0.79 PDE8B (0.43) METTL3PDE8BKDM1ACHEK2PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
EP-2358712-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2011-08-24 EP disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
WO-2010060471-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-06-03 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-20100160344-A1 NOVEL COMPOUNDS BRD4, HDAC6, ENTPD5 METTL3 3887/4885PDE8B 227/4885KDM1A 3905/4885

“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.