SCHEMBL3397502

SCHEMBL3397502

CC(C)(C)[Si](O[C@@H]1CC[C@]2(C=C(CO)CCC2)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39

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
SCHEMBL3401741 1.00 BACE1 (0.39) BACE1
SCHEMBL3401311 0.81 BACE1 (0.39) BACE1
SCHEMBL17008348 0.75 BACE1 (0.38) BACE1
SCHEMBL21827648 0.74 BACE1 (0.41) BACE1
SCHEMBL15451915 0.71 BACE1 (0.47) BACE1
SCHEMBL26466340 0.69 BACE1 (0.41) BACE1
SCHEMBL29498916 0.69 BACE1 (0.42) BACE1
SCHEMBL14461324 0.69 BACE1 (0.43) BACE1
SCHEMBL18563359 0.69 BACE1 (0.45) BACE1
SCHEMBL26964847 0.68 BACE1 (0.40) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2015-10-22 US disclosed
EP-2684861-A2 Spiro compounds and pharmaceutical use thereof Japan Tobacco Inc. (JP) 2014-01-15 EP disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2013-05-02 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
US-8299296-B2 Spiro compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 US disclosed
EP-2508503-A1 Spiro compounds and pharmaceutical use thereof Japan Tobacco, Inc. (JP) 2012-10-10 EP disclosed
EP-2202216-B1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2012-06-27 EP disclosed
EP-2202216-A1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco Inc. (JP) 2010-06-30 EP disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 US disclosed
US-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2009-07-02 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 (3 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-20090170908-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 BACE1 2662/4885
US-20150299090-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 BACE1 2662/4885
US-20130109710-A1 SPIRO COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, PKD2 BACE1 2662/4885

“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.