SCHEMBL7602719

SCHEMBL7602719

CN1CC[C@@](C)(c2cccc(-c3ccc(C#N)s3)n2)NC1=N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BACE1 P56817 1/20 0.33
PGR P06401 6/20 0.32
NR3C1 P04150 1/20 0.31
AR P10275 1/20 0.31
KDM1A O60341 1/20 0.31
FLT3 P36888 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL8198191 0.82 PGR (0.38) KCNH2HRH3BACE1PGRNR3C1
SCHEMBL7553113 0.69 PGR (0.37) BACE1PGRNR3C1AR
SCHEMBL12318037 0.64 CCR1 (0.50) KCNH2HRH3BACE1PGRNR3C1
SCHEMBL8195208 0.64 BACE1 (0.44) HRH3BACE1PGRAR
SCHEMBL8192715 0.63 PGR (0.44) BACE1PGRNR3C1AR
SCHEMBL7574731 0.63 PGR (0.39) KCNH2HRH3BACE1PGRNR3C1
SCHEMBL12173645 0.62 BACE1 (0.41) BACE1PGR
SCHEMBL7566575 0.62 PGR (0.43) BACE1PGRNR3C1AR
SCHEMBL13466955 0.61 BACE1 (0.62) KCNH2BACE1PGRNR3C1AR
SCHEMBL12174207 0.61 BACE1 (0.48) BACE1PGR

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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 KCNH2 3810/4885HRH3 354/4885BACE1 8/4885

“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.