SCHEMBL1571805

SCHEMBL1571805

O=C(NC[C@@H]1C[C@@H]2C[C@@H]2N1)c1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
HCRTR1 O43613 17/20 0.48
HCRTR2 O43614 13/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
PREP P48147 1/20 0.45

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
SCHEMBL983709 0.78 CNR1 (0.51) CNR1CNR2HCRTR1HCRTR2MEN1
SCHEMBL1571717 0.75 RAB9A (0.54) CNR1CNR2MEN1RAB9AKMT2A
SCHEMBL7382937 0.71 EGLN1 (0.74) CNR1CNR2MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL4062177 0.71 PARP1 (0.59) CNR1CNR2HCRTR1HCRTR2MEN1
SCHEMBL20040369 0.70 CNR1 (0.53) CNR1CNR2HCRTR1HCRTR2PREP
SCHEMBL15174138 0.70 CNR1 (0.53) CNR1CNR2HCRTR1HCRTR2PREP
SCHEMBL15173502 0.70 CNR1 (0.53) CNR1CNR2HCRTR1HCRTR2PREP
SCHEMBL15173872 0.70 CNR1 (0.53) CNR1CNR2HCRTR1HCRTR2PREP
SCHEMBL20040371 0.70 CNR1 (0.53) CNR1CNR2HCRTR1HCRTR2PREP
SCHEMBL110552 0.70 PARP1 (0.67) CNR1CNR2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 US disclosed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP 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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 CNR1 3/4885CNR2 7/4885HCRTR1 2/4885

“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.