SCHEMBL4554213

SCHEMBL4554213

CC1(C)C=C(CC2CNCCO2)C(C)(C)N1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.36
SLC6A3 Q01959 8/20 0.36
SLC6A4 P31645 8/20 0.36
HTR2A P28223 4/20 0.36
HTR2B P41595 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA2C P18825 1/20 0.36
KCNH2 Q12809 1/20 0.32
USP7 Q93009 1/20 0.32
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
HRH1 P35367 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR3A P46098 1/20 0.30

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
Hydrochloric Acid SCHEMBL27777625 0.99 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
Hydrochloric Acid SCHEMBL4555654 0.97 SLC6A2 (0.34) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL4266871 0.67 ADRA2C (0.38) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL4266463 0.65 SLC6A2 (0.34) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL4269329 0.64 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL11510988 0.64 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL28253269 0.63 SLC6A2 (0.51) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL1551829 0.63 DRD2 (0.42) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL21852846 0.63 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL9228782 0.63 HRH1 (0.45) SLC6A2SLC6A3SLC6A4HTR2AHTR2B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687786-A Hydroxylamine compounds and methods of use thereof OTHERA HOLDING INC 2010-03-31 CN claimed
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 EP claimed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US claimed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO claimed
CN-103497148-A Hydroxylamine compounds and methods of their use OTHERA HOLDING INC 2014-01-08 CN disclosed
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
CN-101687786-B Hydroxylamine compounds and methods of use thereof OTHERA HOLDING INC 2013-05-22 CN disclosed
CN-101687786-A Hydroxylamine compounds and methods of use thereof OTHERA HOLDING INC 2010-03-31 CN disclosed
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 EP disclosed
EP-2120942-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE Othera Holding, Inc. (US) 2009-11-25 EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 US disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 US disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 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 (2 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-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 SLC6A2 1439/4885SLC6A3 1092/4885SLC6A4 1149/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 SLC6A2 425/4885SLC6A3 255/4885SLC6A4 516/4885

“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.