SCHEMBL7600161

SCHEMBL7600161

CN1C(=N)N[C@](C)(c2cc(-c3ccc(F)c(N)c3)nn2C)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.33
BRD4 O60885 1/20 0.33
CTSD P07339 1/20 0.32
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ESR2 Q92731 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP19A1 P11511 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
SCHEMBL2964563 0.85 PGR (0.39) BACE1
SCHEMBL2964560 0.85 PGR (0.39) BACE1
SCHEMBL7565190 0.82 DDB1 (0.41) BACE1
SCHEMBL8266629 0.81 BACE1 (0.40) BACE1BRD4CTSD
SCHEMBL14105260 0.81 TRIM24 (0.35) BACE1BRD4NPC1RAB9ASMN1; SMN2
SCHEMBL4556676 0.80 PGR (0.36) BACE1BRD4NPC1RAB9ASMN1; SMN2
SCHEMBL8201969 0.79 PARP1 (0.36) BACE1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28603634 0.79 CYP19A1 (0.41) BACE1BRD4CYP19A1
SCHEMBL7547101 0.79 BACE1 (0.37) BACE1BRD4CTSDHSD17B10LMNA
SCHEMBL7581884 0.78 BACE1 (0.35) BACE1CTSD

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 BACE1 8/4885BRD4 2961/4885CTSD 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.