SCHEMBL3252895

SCHEMBL3252895

O=C1[C@@H](N(C(=O)O)c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)c2ccccc2N1CC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
CCKBR P32239 1/20 0.45
CALCRL Q16602 15/20 0.43
RAMP1 O60894 3/20 0.41

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
SCHEMBL9718390 0.83 CCKBR (0.61) CCKBR
SCHEMBL7432000 0.83 CCKBR (0.61) CCKBR
SCHEMBL3888484 0.77 KCNH2 (0.59) KCNH2CCKBRCALCRLRAMP1
SCHEMBL11472781 0.74 LMNA (0.47) KCNH2CCKBRCALCRL
SCHEMBL3247608 0.73 KCNH2 (0.57) KCNH2CALCRLRAMP1
SCHEMBL7212287 0.72 KCNH2 (0.51) KCNH2CALCRLRAMP1
SCHEMBL3859605 0.71 GABRP (0.61) KCNH2CALCRLRAMP1
SCHEMBL1834474 0.71 GABRP (0.61) KCNH2CALCRLRAMP1
SCHEMBL3252899 0.70 KCNH2 (0.38) KCNH2CALCRLRAMP1
SCHEMBL3888483 0.69 KCNH2 (0.37) KCNH2CCKBRCALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856100-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
US-7632832-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-15 US disclosed
EP-1856100-A4 CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-04-15 EP disclosed
US-20080125413-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-29 US disclosed
EP-1856100-A2 CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006078554-A2 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-07-27 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-20080125413-A1 Cgrp Receptor Antagonists CALCRL, NPY1R, CCKBR KCNH2 117/4885CCKBR 3/4885CALCRL 1/4885

“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.