SCHEMBL5175503

SCHEMBL5175503

CC1(CC(O)(CNc2cccc3[nH]ncc23)C(F)(F)F)CCOc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.49
TRPV1 Q8NER1 12/20 0.41
TDO2 P48775 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL5482063 0.88 NR3C1 (0.42) NR3C1TRPV1TDO2HDAC1HDAC8
SCHEMBL5471010 0.84 NR3C1 (0.49) NR3C1TRPV1
SCHEMBL5174536 0.81 NR3C1 (0.56) NR3C1
SCHEMBL5174805 0.81 NR3C1 (0.72) NR3C1
SCHEMBL5470415 0.79 NR3C1 (0.48) NR3C1
SCHEMBL5479397 0.78 NR3C1 (0.50) NR3C1
SCHEMBL5477498 0.78 TRPV1 (0.33) NR3C1TRPV1
SCHEMBL5477504 0.78 TRPV1 (0.33) NR3C1TRPV1
SCHEMBL5484780 0.76 TRPV1 (0.54) TRPV1
SCHEMBL5174939 0.73 NR3C1 (0.57) NR3C1TRPV1

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
EP-1869013-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
WO-2006108711-A1 SUBSTITUTED CHROMAN DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF ANTIPHLOGISTICS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-19 WO 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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO NR3C1 83/4885TRPV1 1347/4885TDO2 1291/4885

“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.