Sugi Predict

Sugi Predict / Compounds / SCHEMBL2188478

SCHEMBL2188478

SCHEMBL2188478

Cc1ccc2[nH]c3c(c2c1)CN(CCCO)CC3

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.84
▸ GRIN1 Q05586 3/20 0.84
▸ GRIN2A Q12879 3/20 0.84
▸ GRIN2D O15399 2/20 0.84
▸ GRIN3B O60391 2/20 0.84
▸ GRIN2B Q13224 2/20 0.84
▸ GRIN2C Q14957 2/20 0.84
▸ GRIN3A Q8TCU5 2/20 0.84
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ BAZ2B Q9UIF8 1/20 0.58
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PABPC1 P11940 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ NPC1 O15118 1/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL2189750 0.93 ACHE (0.79) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL3724766 0.89 ACHE (0.86) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL2246410 0.88 ACHE (0.88) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL7137991 0.88 ACHE (0.84) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL7134093 0.84 ACHE (0.73) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL2188030 0.83 ACHE (0.76) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL20145397 0.83 ACHE (0.75) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL16387807 0.80 ACHE (0.69) ACHEGRIN1GRIN2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL11846883 0.79 APAF1 (0.85) ACHEGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL2192272 0.79 ACHE (0.70) ACHEGRIN1GRIN2AGRIN2DGRIN3B

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 18 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-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 — — 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 — — US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 — — US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 — — 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
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US 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
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 — — EP disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 — — US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 — — 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 (8 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A ACHE 118/4885GRIN1 95/4885GRIN2A 27/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 ACHE 3259/4885GRIN1 1388/4885GRIN2A 739/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C ACHE 1588/4885GRIN1 3214/4885GRIN2A 330/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 ACHE 3259/4885GRIN1 1388/4885GRIN2A 739/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A ACHE 118/4885GRIN1 95/4885GRIN2A 27/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A ACHE 118/4885GRIN1 95/4885GRIN2A 27/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 ACHE 3259/4885GRIN1 1388/4885GRIN2A 739/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C ACHE 1536/4885GRIN1 3230/4885GRIN2A 321/4885

“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.