SCHEMBL15570697

SCHEMBL15570697

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.59
HDAC1 Q13547 5/20 0.59
HRH1 P35367 11/20 0.55
HTR6 P50406 11/20 0.55
ADRA2A P08913 3/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
HTR7 P34969 3/20 0.54
ADRA1A P35348 3/20 0.54
DRD2 P14416 2/20 0.54
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
BCHE P06276 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
ADRA2B P18089 1/20 0.48

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
SCHEMBL14326090 0.91 HTR6 (0.64) HDAC6HDAC1HRH1HTR6ADRA2A
SCHEMBL2173158 0.91 HDAC6 (0.62) HDAC6HDAC1HRH1HTR6ADRA2A
SCHEMBL2190354 0.89 HTR6 (0.65) HDAC6HDAC1HRH1HTR6ADRA2A
SCHEMBL12480629 0.88 HDAC6 (0.51) HDAC6HDAC1HRH1HTR6ADRA2A
SCHEMBL169172 0.88 HTR6 (0.58) HDAC6HDAC1HRH1HTR6ADRA2A
SCHEMBL2186326 0.87 HTR6 (0.66) HDAC6HDAC1HRH1HTR6ADRA2A
SCHEMBL12480988 0.86 HDAC6 (0.51) HDAC6HDAC1HRH1HTR6ADRA2A
SCHEMBL167363 0.85 HTR6 (0.67) HDAC6HDAC1HRH1HTR6ADRA2A
SCHEMBL167362 0.85 HTR6 (0.67) HDAC6HDAC1HRH1HTR6ADRA2A
SCHEMBL168926 0.85 HTR6 (0.67) HDAC6HDAC1HRH1HTR6ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315188-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-11-05 US disclosed
EP-2887805-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION Medivation Technologies, Inc. (US) 2015-07-01 EP disclosed
WO-2014031165-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-02-27 WO disclosed
WO-2014031170-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-02-27 WO disclosed
WO-2014031167-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-02-27 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 (1 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-20150315188-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC6 2617/4885HDAC1 1104/4885HRH1 83/4885

“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.