SCHEMBL3479635

SCHEMBL3479635

Cc1cc(CN2C(=O)N(c3cccc(F)c3)[C@@]3(CCN(CC4CCC4)[C@@H](C)C3)C2=O)no1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
BACE1 P56817 14/20 0.34
NMT1 P30419 3/20 0.34
BACE2 Q9Y5Z0 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
EBP Q15125 1/20 0.31

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
SCHEMBL3479534 0.88 BACE1 (0.47) MAPTRECQLBACE1
SCHEMBL3479391 0.86 NPC1 (0.36) MAPTBACE1BACE2
SCHEMBL3479600 0.86 BACE1 (0.37) MAPTRECQLBACE1
SCHEMBL3479403 0.85 BACE1 (0.38) MAPTRECQLBACE1
SCHEMBL3479555 0.84 BACE1 (0.42) BACE1
SCHEMBL3479612 0.82 BACE1 (0.53) BACE1BACE2
SCHEMBL4253964 0.82 BACE1 (0.52) BACE1
SCHEMBL3479625 0.82 BACE1 (0.48) MAPTRECQLBACE1
SCHEMBL3479522 0.82 BACE1 (0.52) BACE1
Trifluoroacetic Acid SCHEMBL3479591 0.81 BACE1 (0.37) BACE1

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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US claimed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 MAPT 12/4885RECQL 2383/4885BACE1 1/4885

“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.