SCHEMBL1607368

SCHEMBL1607368

N#CNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.43
P2RX7 Q99572 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
GAA P10253 1/20 0.41
CNR2 P34972 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
Potassium SCHEMBL31135095 0.98 ALDH1A1 (0.46) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL11388853 0.82 ALDH1A1 (0.46) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL3244876 0.81 HTT (0.48) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL12104344 0.79 ALDH1A1 (0.42) ALDH1A1HTTLMNAKDM4EMEN1
SCHEMBL3250927 0.79 ALDH1A1 (0.52) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL12104164 0.76 THRB (0.40) ALDH1A1GLALMNANPSR1MAPT
SCHEMBL28289553 0.73 ALDH1A1 (0.53) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL31053476 0.73 HTT (0.53) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL7922598 0.71 ALDH1A1 (0.47) ALDH1A1HTTCRHBPCRHR2MCOLN3
SCHEMBL23220249 0.71 THRB (0.63) ALDH1A1HTTCRHBPCRHR2MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940816-A Acylated cyanamide compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-07-10 US claimed
US-9026372-B2 Methods for providing a system of care for a high-dose oxazaphosphorine drug regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20110117050-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20110097426-A1 Methods for Safe and Effective Treatment Using Oxazaphosphorine Drugs ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110082115-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen ACCENTIA BIOPHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO disclosed
US-4940816-A Acylated cyanamide compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-07-10 US disclosed
EP-0253882-A4 ACYLATED CYANAMIDE COMPOSITION. UNIV MINNESOTA (US) 1990-06-27 EP disclosed
US-4870056-A DETERRENTS OF ALCOHOL ABUSE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-09-26 US disclosed
US-4726941-A Acylated cyanamide composition for treating ethanol ingestion REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-02-23 US disclosed
EP-0253882-A1 ACYLATED CYANAMIDE COMPOSITION THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-01-27 EP disclosed
WO-1987004348-A1 ACYLATED CYANAMIDE COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1987-07-30 WO 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 (4 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-20110117050-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen PAICS, TYMP, OTC ALDH1A1 1737/4885HTT 1700/4885CRHBP 2114/4885
US-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA ALDH1A1 858/4885HTT 20/4885CRHBP 4236/4885
US-20110082115-A1 Methods for Providing a System of Care for an Oxazaphosphorine Drug Regimen PAICS, TYMP, OTC ALDH1A1 1737/4885HTT 1700/4885CRHBP 2114/4885
US-20110097426-A1 Methods for Safe and Effective Treatment Using Oxazaphosphorine Drugs TYMP, PAICS, ENTPD5 ALDH1A1 1556/4885HTT 2190/4885CRHBP 2680/4885

“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.