SCHEMBL14607671

SCHEMBL14607671

CCCCN1CCN(C(=O)C(C)(C)CO[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 12/20 0.39
HRH1 P35367 12/20 0.39
GPR183 P32249 1/20 0.35
USP2 O75604 1/20 0.34
THRB P10828 1/20 0.33
HTR4 Q13639 1/20 0.32
TLR8 Q9NR97 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL14607694 0.96 HRH2 (0.41) HRH2HRH1USP2
SCHEMBL14573940 0.88 HRH2 (0.33) HRH2HRH1THRBALDH1A1
SCHEMBL14573947 0.85 THRB (0.33) THRBALDH1A1
SCHEMBL5154021 0.85 THRB (0.33) HRH2HRH1THRBALDH1A1
SCHEMBL5151405 0.82 ALDH1A1 (0.34) THRBALDH1A1
SCHEMBL5148701 0.77 HRH2 (0.36) HRH2HRH1
SCHEMBL14607630 0.74 GNAI3 (0.38) HRH2HRH1USP2ALDH1A1LMNA
SCHEMBL5150806 0.73 MEN1 (0.33) HRH2HRH1ALDH1A1
Hydrochloric Acid SCHEMBL5155296 0.73 MEN1 (0.33) HRH2HRH1ALDH1A1
SCHEMBL1048005 0.69 GPR183 (0.47) HRH2HRH1GPR183USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 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 (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-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 HRH2 2566/4885HRH1 3401/4885GPR183 874/4885

“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.