SCHEMBL472416

SCHEMBL472416

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR7 P34969 4/20 0.41
HTR1A P08908 3/20 0.41
DRD2 P14416 2/20 0.41
HTR1D P28221 2/20 0.41
DRD3 P35462 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
BLM P54132 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL472466 0.85 CHRM2 (0.47) CHRM3CHRM2CHRM1DRD2DRD3
SCHEMBL472631 0.85 BACE1 (0.36) CHRM3CHRM2CHRM1DRD2DRD3
SCHEMBL472499 0.85 BACE1 (0.36) CHRM3CHRM2CHRM1DRD2DRD3
SCHEMBL3807095 0.83 IDO1 (0.39) HTR1AHTR2CHTR2B
SCHEMBL472452 0.81 MTNR1A (0.33)
SCHEMBL472441 0.80 MTNR1A (0.39) DRD2HTR1DDRD3CYP1A2
SCHEMBL472439 0.80 MTNR1A (0.39) DRD2HTR1DDRD3CYP1A2
SCHEMBL21827847 0.75 BACE1 (0.40)
SCHEMBL2621519 0.74 BACE1 (0.36) TSHR
SCHEMBL5880292 0.74 BACE1 (0.39)

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 CHRM3 273/4885CHRM2 200/4885CHRM1 199/4885

“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.