SCHEMBL12480378

SCHEMBL12480378

Cc1ccc2c(c1)c1c(n2CC(OS(C)(=O)=O)c2ccc(F)cc2)CCN(C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.60
HRH1 P35367 14/20 0.60
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
ADRA2A P08913 3/20 0.51
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
HTR7 P34969 3/20 0.51
ADRA1A P35348 3/20 0.51
BCHE P06276 3/20 0.49
DRD2 P14416 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ADRA2B P18089 1/20 0.46
ADRA2C P18825 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
SCHEMBL12480235 0.89 HRH1 (0.60) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL15570593 0.84 HRH1 (0.60) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL1120481 0.83 GRIN2D (0.50) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL4129997 0.83 HTR6 (0.69) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL167305 0.83 HTR6 (0.69) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL14716411 0.83 HDAC6 (0.53) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL12480215 0.82 HTR6 (0.67) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL28098286 0.81 HTR6 (0.64) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL13834626 0.81 HTR6 (0.66) HTR6HRH1GRIN1GRIN2AGRIN2B
SCHEMBL13696316 0.81 HTR6 (0.61) HTR6HRH1GRIN1GRIN2AGRIN2B

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-2675459-A1 COMPOUNDS AND METHODS OF TREATING DIABETES Medivation Technologies, Inc. (US) 2013-12-25 EP disclosed
EP-2675458-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION 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 HTR6 47/4885HRH1 93/4885GRIN1 1388/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C HTR6 88/4885HRH1 171/4885GRIN1 3214/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HTR6 47/4885HRH1 93/4885GRIN1 1388/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HTR6 47/4885HRH1 93/4885GRIN1 1388/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C HTR6 85/4885HRH1 188/4885GRIN1 3230/4885

“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.