SCHEMBL7604106

SCHEMBL7604106

CN1C(=N)N[C@](C)(c2ccc(-c3cccc(C#N)c3)s2)C(c2ccc(C(C)(C)C)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.45
PRF1 P14222 2/20 0.37
PGR P06401 2/20 0.34
HPGDS O60760 1/20 0.33
CTSD P07339 2/20 0.32
GRM2 Q14416 1/20 0.32
PAX8 Q06710 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
CREBBP Q92793 1/20 0.31
GRIN2B Q13224 1/20 0.31
BRD4 O60885 2/20 0.30
NR1H4 Q96RI1 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
SCHEMBL7541121 1.00 BACE1 (0.45) BACE1PRF1PGRHPGDSCTSD
SCHEMBL7545931 1.00 BACE1 (0.45) BACE1PRF1PGRHPGDSCTSD
SCHEMBL13055092 0.93 BACE1 (0.44) BACE1PRF1PGRHPGDSCTSD
SCHEMBL7554034 0.93 BACE1 (0.44) BACE1PRF1PGRHPGDSCTSD
SCHEMBL12174319 0.93 BACE1 (0.44) BACE1PRF1PGRHPGDSCTSD
SCHEMBL8212244 0.93 BACE1 (0.44) BACE1PRF1PGRHPGDSCTSD
SCHEMBL7576383 0.93 BACE1 (0.44) BACE1PRF1PGRHPGDSCTSD
SCHEMBL7568802 0.93 BACE1 (0.44) BACE1PRF1PGRHPGDSCTSD
SCHEMBL13054199 0.93 BACE1 (0.44) BACE1PRF1PGRHPGDSCTSD
SCHEMBL8202524 0.92 BACE1 (0.45) BACE1PRF1PGRHPGDS

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 8/4885PRF1 3012/4885PGR 1172/4885

“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.