SCHEMBL472439

SCHEMBL472439

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.39
MTNR1B P49286 8/20 0.39
DRD2 P14416 2/20 0.35
HTR1D P28221 2/20 0.35
DRD3 P35462 2/20 0.35
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
BACE1 P56817 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL472441 1.00 MTNR1A (0.39) MTNR1AMTNR1BDRD2HTR1DDRD3
SCHEMBL472466 0.84 CHRM2 (0.47) MTNR1AMTNR1BDRD2DRD3
SCHEMBL472416 0.80 CHRM3 (0.45) DRD2HTR1DDRD3CYP1A2
SCHEMBL472499 0.77 BACE1 (0.36) MTNR1AMTNR1BDRD2DRD3BACE1
SCHEMBL472631 0.77 BACE1 (0.36) MTNR1AMTNR1BDRD2DRD3BACE1
SCHEMBL3807095 0.75 IDO1 (0.39) MTNR1AMTNR1BBACE1
SCHEMBL472452 0.73 MTNR1A (0.33) MTNR1AMTNR1BBACE1
SCHEMBL8029939 0.72 MTNR1A (0.43) MTNR1AMTNR1BDRD2HTR1DDRD3
SCHEMBL21827847 0.70 BACE1 (0.40) BACE1
SCHEMBL5880292 0.69 BACE1 (0.39) 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 MTNR1A 95/4885MTNR1B 113/4885DRD2 546/4885

“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.