SCHEMBL21156891

SCHEMBL21156891

CCCC(C)(C)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
SPHK1 Q9NYA1 4/20 0.46
CASR P41180 1/20 0.46
FAAH O00519 2/20 0.45
NPBWR1 P48145 2/20 0.44
MCHR1 Q99705 2/20 0.44
GBA1 P04062 1/20 0.43
SPHK2 Q9NRA0 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL21157725 1.00 HRH3 (0.48) HRH3SPHK1CASRFAAHNPBWR1
SCHEMBL13527053 0.87 HRH3 (0.53) HRH3SPHK1CASRFAAHNPBWR1
SCHEMBL13527049 0.87 HRH3 (0.53) HRH3SPHK1CASRFAAHNPBWR1
SCHEMBL13527218 0.83 HRH3 (0.54) HRH3SPHK1CASRFAAHNPBWR1
SCHEMBL13527255 0.83 HRH3 (0.54) HRH3SPHK1CASRFAAHNPBWR1
SCHEMBL15060933 0.83 HRH3 (0.56) HRH3SPHK1FAAHNPBWR1MCHR1
SCHEMBL15060905 0.83 HRH3 (0.56) HRH3SPHK1FAAHNPBWR1MCHR1
SCHEMBL13480868 0.78 GBA1 (0.60) HRH3SPHK1FAAHNPBWR1MCHR1
SCHEMBL3563639 0.75 HRH3 (0.53) HRH3SPHK1CASRNPBWR1MCHR1
SCHEMBL27729943 0.74 GBA1 (0.58) HRH3SPHK1FAAHNPBWR1MCHR1

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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 HRH3 140/4885SPHK1 2153/4885CASR 4777/4885

“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.