Sugi Predict

Sugi Predict / Compounds / SCHEMBL169541

SCHEMBL169541

SCHEMBL169541

Cc1ccc(C(CC(=O)OC(C)C)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.50
▸ HDAC1 Q13547 6/20 0.50
▸ HRH1 P35367 4/20 0.46
▸ HTR6 P50406 4/20 0.46
▸ GRIN1 Q05586 2/20 0.46
▸ GRIN2A Q12879 2/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ BCHE P06276 2/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HRH2 P25021 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ HTR7 P34969 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
SCHEMBL13293814 0.94 HDAC6 (0.43) HDAC6HDAC1HRH1HTR6GRIN1
SCHEMBL12819646 0.94 HDAC6 (0.42) HDAC6HDAC1HRH1HTR6GRIN1
SCHEMBL169642 0.90 HDAC6 (0.54) HDAC6HDAC1HRH1HTR6GRIN1
SCHEMBL169533 0.90 HDAC6 (0.54) HDAC6HDAC1HRH1HTR6GRIN1
SCHEMBL168879 0.87 HDAC6 (0.53) HDAC6HDAC1HRH1HTR6GRIN1
SCHEMBL10315929 0.87 HDAC6 (0.51) HDAC6HDAC1HRH1HTR6GRIN1
SCHEMBL167241 0.86 HDAC6 (0.50) HDAC6HDAC1HRH1HTR6GRIN1
SCHEMBL13293813 0.84 HDAC1 (0.46) HDAC6HDAC1GRIN1GRIN2AGRIN2B
SCHEMBL13293829 0.84 HDAC6 (0.46) HDAC6HDAC1HRH1HTR6GRIN1
SCHEMBL15631522 0.84 HDAC6 (0.44) HDAC6HDAC1HRH1HTR6GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 — — EP claimed
US-8927571-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-01-06 — — US claimed
US-8741919-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-03 — — US claimed
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US claimed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 — — US claimed
EP-2424366-A1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 — — EP claimed
WO-2011019417-A1 PYRIDO [4, 3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-02-17 — — WO claimed
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
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 — — EP disclosed
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 — — EP 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
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 — — WO disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 — — US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 — — US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 — — US 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-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HDAC6 3393/4885HDAC1 4018/4885HRH1 41/4885
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HDAC6 3393/4885HDAC1 4018/4885HRH1 41/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC6 2844/4885HDAC1 1375/4885HRH1 93/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C HDAC6 3097/4885HDAC1 2415/4885HRH1 188/4885

“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.