SCHEMBL12410381

SCHEMBL12410381

CN1CC(C)(c2cccc(-c3cccc(C#N)c3)c2)NC1=N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.46
PGR P06401 6/20 0.43
BACE2 Q9Y5Z0 2/20 0.42
AR P10275 1/20 0.41
CTSD P07339 1/20 0.40
NPY5R Q15761 1/20 0.37
NSD2 O96028 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
MAOB P27338 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
OTUD7B Q6GQQ9 3/20 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
SCHEMBL8195208 0.88 BACE1 (0.44) BACE1PGRBACE2ARCTSD
SCHEMBL12410393 0.85 BACE1 (0.41) BACE1PGRBACE2ARCTSD
SCHEMBL2173248 0.82 BACE1 (0.43) BACE1PGRBACE2ARCTSD
SCHEMBL8266532 0.82 PGR (0.35) BACE1PGRBACE2NPY5ROPRM1
SCHEMBL7538407 0.81 BACE1 (0.58) BACE1PGRBACE2ARCTSD
SCHEMBL8267865 0.81 MAOA (0.37) BACE1NPY5R
SCHEMBL12410382 0.81 BACE1 (0.43) BACE1PGR
SCHEMBL8267868 0.81 OPRD1 (0.40) OPRM1
SCHEMBL10329056 0.81 BACE1 (0.47) BACE1PGRBACE2ARCTSD
SCHEMBL12410378 0.80 BACE1 (0.38) BACE1PGRBACE2CTSDNPY5R

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-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

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 8/4885PGR 1172/4885BACE2 30/4885

“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.