SCHEMBL4810233

SCHEMBL4810233

CCCCNC(=O)c1ccc(-c2scc(-c3ccccc3Cl)c2CC(=O)NC(=N)NCCCO)cc1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.75
CNR1 P21554 4/20 0.41
CNR2 P34972 2/20 0.41
HPGD P15428 1/20 0.39
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
NAAA Q02083 1/20 0.35
KCNA3 P22001 1/20 0.35

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
SCHEMBL4807670 0.97 BACE1 (0.73) BACE1CNR1CNR2DRD2DRD4
SCHEMBL4807276 0.90 BACE1 (0.72) BACE1CNR1HPGD
SCHEMBL4812366 0.89 BACE1 (0.73) BACE1
SCHEMBL4805139 0.88 BACE1 (0.73) BACE1
SCHEMBL4812107 0.86 BACE1 (0.71) BACE1
SCHEMBL4815325 0.82 BACE1 (0.73) BACE1HPGD
SCHEMBL4808649 0.78 BACE1 (0.73) BACE1
SCHEMBL5803571 0.70 BACE1 (0.73) BACE1
SCHEMBL5804999 0.70 BACE1 (0.59) BACE1
SCHEMBL4810047 0.69 BACE1 (0.62) BACE1CNR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US claimed
US-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2006-08-17 US claimed
US-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US disclosed
US-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2006-08-17 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-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators BACE1, BACE2, PSEN1 BACE1 1/4885CNR1 2016/4885CNR2 2247/4885

“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.