SCHEMBL4556855

SCHEMBL4556855

Cc1cncc(-c2ncc([C@]3(C)CC(=O)N(C)C(=N)N3)s2)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 3/20 0.34
BACE1 P56817 5/20 0.33
BRD4 O60885 1/20 0.32
TAF1 P21675 1/20 0.32
ATAD2 Q6PL18 1/20 0.32

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
SCHEMBL7601677 0.89 BACE1 (0.31) BACE1
SCHEMBL4549143 0.87 BACE1 (0.48) BACE1
SCHEMBL8437235 0.87 ADORA3 (0.34) BACE1
SCHEMBL8436781 0.82 CYP11B2 (0.33) CYP11B2CYP11B1BACE1BRD4TAF1
SCHEMBL4556908 0.82 BACE1 (0.46) CYP11B2CYP11B1BACE1BRD4TAF1
SCHEMBL4556868 0.82 BACE1 (0.34) CYP11B2CYP11B1BACE1BRD4TAF1
SCHEMBL4556664 0.82 BACE1 (0.36) CYP11B2CYP11B1BACE1
SCHEMBL4557056 0.81 BACE1 (0.35) CYP11B2CYP11B1BACE1
SCHEMBL8202351 0.81 BACE1 (0.34) BACE1
SCHEMBL7604274 0.81 PTPN11 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 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 (2 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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 CYP11B2 2150/4885CYP11B1 1364/4885BACE1 3/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 CYP11B2 2150/4885CYP11B1 1364/4885BACE1 3/4885

“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.