Sugi Predict

Sugi Predict / Compounds / SCHEMBL15570873

SCHEMBL15570873

SCHEMBL15570873

CCOC(=O)N1CCc2c(c3cc(C)ccc3n2CC(C)(O)c2cccnc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B10 O60218 1/20 0.49
▸ AKR1B1 P15121 1/20 0.49
▸ HRH1 P35367 8/20 0.48
▸ HTR6 P50406 7/20 0.48
▸ PTGDR2 Q9Y5Y4 3/20 0.47
▸ LMNA P02545 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PTGDR Q13258 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ GRIN1 Q05586 3/20 0.39
▸ GRIN2A Q12879 3/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ ADRA1A P35348 2/20 0.39

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
SCHEMBL12479427 0.86 KRAS (0.43) HRH1HTR6PTGDR2PTGDRHDAC6
SCHEMBL2185501 0.85 HRH1 (0.66) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL15570933 0.82 HRH1 (0.49) HRH1HTR6PTGDR2GRIN1GRIN2A
SCHEMBL12480260 0.82 HRH1 (0.56) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL13696201 0.82 HRH1 (0.72) AKR1B10AKR1B1HRH1HTR6PTGDR2
SCHEMBL16638428 0.81 HSD17B10 (0.48) HRH1HTR6LMNASMN1; SMN2GRIN1
SCHEMBL13834322 0.80 HRH1 (0.55) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL12479151 0.80 HRH1 (0.56) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL13833885 0.78 SIRT2 (0.45) HRH1HTR6LMNASIRT2GRIN1
SCHEMBL12480406 0.78 HDAC6 (0.49) HRH1HTR6PTGDR2GRIN1GRIN2A

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 7 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
US-20150315188-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-11-05 — — US disclosed
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 AKR1B10 318/4885AKR1B1 89/4885HRH1 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.