SCHEMBL4829698

SCHEMBL4829698

CC([C@@H]1CO1)N(C(=O)O)c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
TRPM8 Q7Z2W7 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
SCHEMBL2972097 1.00 NR1I2 (0.33) NR1I2TRPM8
SCHEMBL2870728 1.00 NR1I2 (0.33) NR1I2TRPM8
SCHEMBL3178738 0.86 ALDH1A1 (0.37)
SCHEMBL4829717 0.83 HCRTR2 (0.31)
SCHEMBL2978415 0.82 MEN1 (0.32)
SCHEMBL3171297 0.81 KAT6A (0.34)
SCHEMBL5670634 0.80 KMT2A (0.42)
SCHEMBL3169185 0.77 TRPM8 (0.33) TRPM8
SCHEMBL3293494 0.74 TRPM8 (0.41) TRPM8
SCHEMBL9281551 0.71 ERN1 (0.34) NR1I2TRPM8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388118-B2 Amine 1,2- and 1,3-diol compounds PHAMACIA & UPJOHN COMPANY LLC (US) 2008-06-17 US disclosed
EP-1453792-B1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2007-04-18 EP disclosed
US-20040039064-A1 Amine 1,2- and 1,3-diol compounds PHARMACIA & UPJOHN COMPANY LLC 2004-02-26 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-20040039064-A1 Amine 1,2- and 1,3-diol compounds BACE1, BACE2, APP NR1I2 473/4885TRPM8 3887/4885

“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.