SCHEMBL6058409

SCHEMBL6058409

NC12CC3([N+](=O)[O-])CC([N+](=O)[O-])(C1)CC([N+](=O)[O-])(C2)C3

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 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
SCHEMBL6250199 0.94 CRHBP (0.37) CRHBPCRHR2
SCHEMBL5917100 0.85 CRHBP (0.50) CRHBPCRHR2
SCHEMBL6230086 0.82 LMNA (0.34) CRHBPCRHR2
SCHEMBL6232248 0.77 GRIN1 (0.39) CRHBPCRHR2
SCHEMBL5608359 0.72 CRHBP (0.46) CRHBPCRHR2
SCHEMBL5803834 0.72 PKM (0.45) CRHBPCRHR2
SCHEMBL7173119 0.70 CRHBP (0.45) CRHBPCRHR2
SCHEMBL5608156 0.70 CRHBP (0.45) CRHBPCRHR2
SCHEMBL28090294 0.67 CRHBP (0.31) CRHBPCRHR2
SCHEMBL5608709 0.67 CRHBP (0.41) CRHBPCRHR2

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-1574495-A1 Adamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP claimed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US disclosed
EP-0897747-B1 NITRATION OR CARBOXYLATION CATALYSTS DAICEL CHEM (JP) 2006-04-05 EP 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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 CRHBP 4403/4885CRHR2 3825/4885

“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.