Sugi Predict

Sugi Predict / Compounds / SCHEMBL15060933

SCHEMBL15060933

SCHEMBL15060933

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.56
▸ FAAH O00519 2/20 0.52
▸ MAPT P10636 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ GBA1 P04062 1/20 0.50
▸ SPHK1 Q9NYA1 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPBWR1 P48145 2/20 0.47
▸ MCHR1 Q99705 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ KCNJ1 P48048 1/20 0.46

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
SCHEMBL15060905 1.00 HRH3 (0.56) HRH3FAAHMAPTCYP2D6GBA1
SCHEMBL13527255 0.89 HRH3 (0.54) HRH3FAAHGBA1SPHK1NPBWR1
SCHEMBL13527218 0.89 HRH3 (0.54) HRH3FAAHGBA1SPHK1NPBWR1
SCHEMBL13480868 0.86 GBA1 (0.60) HRH3FAAHGBA1SPHK1NPBWR1
SCHEMBL13527049 0.85 HRH3 (0.53) HRH3FAAHMAPTGBA1SPHK1
SCHEMBL13527053 0.85 HRH3 (0.53) HRH3FAAHMAPTGBA1SPHK1
SCHEMBL21157725 0.83 HRH3 (0.48) HRH3FAAHGBA1SPHK1NPBWR1
SCHEMBL21156891 0.83 HRH3 (0.48) HRH3FAAHGBA1SPHK1NPBWR1
SCHEMBL27729943 0.82 GBA1 (0.58) HRH3FAAHGBA1SPHK1NPBWR1
SCHEMBL13215732 0.79 ALDH1A1 (0.57) HRH3GBA1SPHK1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 — — US disclosed
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 — — US disclosed
US-9085600-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-07-21 — — US disclosed
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2014-04-03 — — US disclosed
US-8470985-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2013-06-25 — — 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 (3 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 HRH3 140/4885FAAH 1711/4885MAPT 4213/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 HRH3 140/4885FAAH 1711/4885MAPT 4213/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 HRH3 140/4885FAAH 1711/4885MAPT 4213/4885

“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.