SCHEMBL12480684

SCHEMBL12480684

C=CCN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2ccncn2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.43
BAZ2B Q9UIF8 5/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
CNR2 P34972 1/20 0.38
HTR5A P47898 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.35
HRH1 P35367 3/20 0.33
HTR6 P50406 3/20 0.33
PTGER2 P43116 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL12479950 0.88 CNR1 (0.47) CNR1BAZ2BHDAC1HDAC6CNR2
SCHEMBL167440 0.86 HDAC1 (0.49) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL13293736 0.83 HDAC1 (0.41) BAZ2BHDAC1HDAC6PTGDR2HRH1
SCHEMBL16638425 0.82 PTGS1 (0.44) BAZ2BHDAC1HDAC6PTGDR2HTR6
SCHEMBL1444927 0.81 HDAC1 (0.41) BAZ2BHDAC1HDAC6HRH1HTR6
SCHEMBL12479898 0.79 CYP3A4 (0.43) BAZ2BHDAC1HDAC6PTGDR2HTR6
SCHEMBL12480785 0.76 CNR1 (0.40) CNR1HDAC1HDAC6CNR2HRH1
SCHEMBL169627 0.76 HRH1 (0.59) HDAC1HDAC6HTR5AHRH1HTR6
SCHEMBL12480751 0.76 CNR1 (0.47) CNR1BAZ2BHDAC1HDAC6CNR2
SCHEMBL169687 0.74 HTR6 (0.52) BAZ2BHDAC1HDAC6HTR5AHRH1

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 14 patents. 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-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-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8815843-B2 Compounds and methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-26 US disclosed
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
EP-2675458-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION Medivation Technologies, Inc. (US) 2013-12-25 EP disclosed
EP-2675459-A1 COMPOUNDS AND METHODS OF TREATING DIABETES Medivation Technologies, Inc. (US) 2013-12-25 EP 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-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-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 (5 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 CNR1 167/4885BAZ2B 576/4885HDAC1 1375/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C CNR1 178/4885BAZ2B 669/4885HDAC1 2449/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 CNR1 167/4885BAZ2B 576/4885HDAC1 1375/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 CNR1 167/4885BAZ2B 576/4885HDAC1 1375/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C CNR1 171/4885BAZ2B 664/4885HDAC1 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.