SCHEMBL1496700

SCHEMBL1496700

CC(C)(C)Oc1c(F)cc(N)cc1F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL14499012 0.81 RAPGEF4 (0.30)
SCHEMBL19636607 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3450618 0.78 PDGFRB (0.37) ALDH1A1TSHR
SCHEMBL13088223 0.77
SCHEMBL7633971 0.77
SCHEMBL24533522 0.73
SCHEMBL3693668 0.72 TRPA1 (0.32)
SCHEMBL27530767 0.72 PDE2A (0.41) ALDH1A1TSHR
SCHEMBL16638710 0.71 KMT2A (0.36)
SCHEMBL15724447 0.71 CA1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1967519-B1 3,4-DIHYDROBENZOXAZINE COMPOUND AND INHIBITOR OF VANILLOID RECEPTOR TYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC (JP) 2012-09-05 EP disclosed
US-20110212952-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY JAPAN TOBACCO INC. (JP) 2011-09-01 US disclosed
US-7906508-B2 3,4-dihydrobenzoxazine compounds and inhibitors of vanilloid receptor subtype 1 (VRI) activity JAPAN TOBACCO INC. (JP) 2011-03-15 US disclosed
EP-1967519-A1 3,4-DIHYDROBENZOXAZINE COMPOUND AND INHIBITOR OF VANILLOID RECEPTOR TYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC. (JP) 2008-09-10 EP disclosed
US-20070149517-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY JAPAN TOBACCO INC. (JP) 2007-06-28 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 (2 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-20070149517-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY TRPV3, TRPV1, TRPV5 ALDH1A1 1012/4885TSHR 1373/4885
US-20110212952-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY TRPV3, TRPV1, TRPV5 ALDH1A1 1012/4885TSHR 1373/4885

“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.