SCHEMBL472631

SCHEMBL472631

CC(C)(C)[Si](O[C@@H]1CCc2cccc(N)c2C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
SLC18A3 Q16572 2/20 0.34
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
TRPV1 Q8NER1 1/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 2/20 0.32
ANPEP P15144 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
DRD4 P21917 1/20 0.30

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
SCHEMBL472499 1.00 BACE1 (0.36) BACE1SLC18A3CHRM2CHRM1CHRM3
SCHEMBL472416 0.85 CHRM3 (0.45) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL472466 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL3807095 0.83 IDO1 (0.39) BACE1ANPEPMTNR1AMTNR1B
SCHEMBL428179 0.82 TRPV1 (0.36) SLC18A3CHRM2CHRM1CHRM3TRPV1
SCHEMBL472452 0.79 MTNR1A (0.33) BACE1MTNR1AMTNR1B
SCHEMBL472439 0.77 MTNR1A (0.39) BACE1DRD2DRD3MTNR1AMTNR1B
SCHEMBL472441 0.77 MTNR1A (0.39) BACE1DRD2DRD3MTNR1AMTNR1B
SCHEMBL21827847 0.75 BACE1 (0.40) BACE1
SCHEMBL19643282 0.75 BACE1 (0.34) 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
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 BACE1 1691/4885SLC18A3 260/4885CHRM2 200/4885

“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.