SCHEMBL4307302

SCHEMBL4307302

COc1ccc(N2C[C@@H]3CC[C@H]2CC(=O)N3)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
FFAR1 O14842 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
OPRM1 P35372 1/20 0.38
LMNA P02545 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
TSHR P16473 1/20 0.36
MGLL Q99685 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
SCHEMBL8223424 1.00 MAPT (0.40) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL4315326 0.76 GAA (0.46) L3MBTL1GAAPOLBFFAR1HRH3
SCHEMBL8212499 0.76 GAA (0.46) L3MBTL1GAAPOLBFFAR1HRH3
SCHEMBL14247562 0.76 GAA (0.42) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3236297 0.76 GAA (0.42) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL29544886 0.76 GAA (0.42) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL22555731 0.75 MAPT (0.40) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL3232212 0.70 GAA (0.43) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL24635866 0.70 CHRNB2 (0.68) L3MBTL1GAACHRNB2CHRNA4
SCHEMBL24028246 0.70 CHRNB2 (0.68) L3MBTL1GAACHRNB2CHRNA4

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-2049110-B1 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-20 EP disclosed
EP-2049110-B1 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-20 EP disclosed
US-8618102-B2 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-12-31 US disclosed
US-20090239843-A1 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239843-A1 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2009-09-24 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-20090239843-A1 Bridged diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 MAPT 620/4885L3MBTL1 4413/4885MEN1 1414/4885

“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.