SCHEMBL12480762

SCHEMBL12480762

Cc1cnc2c(c1)c1c(n2CC(O)c2ccncc2)CCNC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.36
SIRT1 Q96EB6 3/20 0.36
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR6 P50406 2/20 0.31
HRH1 P35367 1/20 0.31
PKN1 Q16512 3/20 0.31
PKN2 Q16513 3/20 0.31
CDC7 O00311 2/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MCHR1 Q99705 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
SCHEMBL13833888 0.89 SIRT2 (0.37) SIRT2SIRT1HDAC1HDAC6HTR6
SCHEMBL13834536 0.87 SIGMAR1 (0.35) SIRT2SIRT1HDAC1HDAC6CYP3A4
SCHEMBL16638430 0.85 KMT2A (0.43) HTR6HRH1MEN1KMT2A
SCHEMBL12480649 0.84 SIRT2 (0.47) SIRT2SIRT1HTR6HRH1MEN1
SCHEMBL14716249 0.84 SIRT2 (0.34) SIRT2SIRT1PKN1PKN2
SCHEMBL12479903 0.81 HRH1 (0.51) HDAC1HDAC6HTR6HRH1
SCHEMBL12479756 0.77 CYP3A4 (0.45) SIRT2SIRT1HDAC1HDAC6HTR6
SCHEMBL12480206 0.77 CNR1 (0.40) HDAC1HDAC6HTR6HRH1
SCHEMBL12480493 0.76 HDAC1 (0.40) SIRT2SIRT1HDAC1HDAC6HTR6
SCHEMBL13833891 0.76 SIRT2 (0.35) SIRT2SIRT1CYP3A4MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
WO-2012112966-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 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-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 SIRT2 1447/4885SIRT1 2145/4885HDAC1 1375/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C SIRT2 729/4885SIRT1 2207/4885HDAC1 2449/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 SIRT2 1447/4885SIRT1 2145/4885HDAC1 1375/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C SIRT2 738/4885SIRT1 2196/4885HDAC1 2415/4885

“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.