SCHEMBL12410378

SCHEMBL12410378

CN1CC(C)(c2cccc(-c3cc(F)cc(F)c3)c2)NC1=N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.38
BACE2 Q9Y5Z0 3/20 0.38
CTSD P07339 2/20 0.38
HSD11B1 P28845 2/20 0.34
PGR P06401 6/20 0.33
NPY5R Q15761 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL2171341 0.86 OPRL1 (0.33) PGR
SCHEMBL8266532 0.84 PGR (0.35) BACE1BACE2PGRNPY5RSLC6A2
SCHEMBL8267868 0.83 OPRD1 (0.40) SLC6A4
SCHEMBL12410382 0.83 BACE1 (0.43) BACE1PGR
SCHEMBL8267865 0.83 MAOA (0.37) BACE1NPY5R
SCHEMBL8266677 0.81 BACE1 (0.45) BACE1BACE2CTSDPGR
SCHEMBL12410381 0.80 BACE1 (0.46) BACE1BACE2CTSDPGRNPY5R
SCHEMBL8266536 0.80 BACE1 (0.47) BACE1BACE2CTSD
SCHEMBL8267884 0.80 BACE1 (0.42) BACE1BACE2CTSDHSD11B1
SCHEMBL12410379 0.79 PGR (0.44) PGRNPY5R

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
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 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-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885BACE2 30/4885CTSD 13/4885

“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.