SCHEMBL7599848

SCHEMBL7599848

Cc1cc(C(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)NC(=N)N(C)C3=O)C2)cc(I)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.48
CTSD P07339 14/20 0.48
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL13441120 1.00 BACE1 (0.48) BACE1CTSDALDH1A1TSHR
SCHEMBL7541601 0.91 BACE1 (0.49) BACE1CTSDALDH1A1TSHR
SCHEMBL13407686 0.91 BACE1 (0.49) BACE1CTSDALDH1A1TSHR
SCHEMBL14617646 0.91 BACE1 (0.49) BACE1CTSDALDH1A1TSHR
SCHEMBL12500118 0.90 BACE1 (0.48) BACE1CTSDALDH1A1TSHR
SCHEMBL7601307 0.88 BACE1 (0.53) BACE1CTSDALDH1A1TSHR
SCHEMBL12174286 0.88 BACE1 (0.51) BACE1CTSDALDH1A1TSHR
SCHEMBL2962292 0.88 BACE1 (0.51) BACE1CTSDALDH1A1TSHR
SCHEMBL7554360 0.88 BACE1 (0.51) BACE1CTSDALDH1A1TSHR
SCHEMBL13054144 0.88 BACE1 (0.51) BACE1CTSDALDH1A1TSHR

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 8/4885CTSD 13/4885ALDH1A1 4505/4885

“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.