SCHEMBL3252899

SCHEMBL3252899

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
CALCRL Q16602 17/20 0.34
RAMP1 O60894 2/20 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
SCHEMBL3252895 0.70 KCNH2 (0.47) KCNH2CALCRLRAMP1
SCHEMBL3247608 0.62 KCNH2 (0.57) KCNH2CALCRLRAMP1
SCHEMBL8223082 0.61 KCNH2 (0.73) KCNH2CALCRLRAMP1
SCHEMBL3859605 0.60 GABRP (0.61) KCNH2CALCRLRAMP1
SCHEMBL1834474 0.60 GABRP (0.61) KCNH2CALCRLRAMP1
SCHEMBL11472781 0.58 LMNA (0.47) KCNH2CALCRL
SCHEMBL3944190 0.57 KCNH2 (0.38) KCNH2CALCRLRAMP1
SCHEMBL4128435 0.57 KCNH2 (0.38) KCNH2CALCRLRAMP1
SCHEMBL4117374 0.57 KCNH2 (0.38) KCNH2CALCRLRAMP1
SCHEMBL8846319 0.57 KCNH2 (0.77) KCNH2CALCRLRAMP1

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 117/4885CALCRL 1/4885RAMP1 114/4885

“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.