Sugi Predict

Sugi Predict / Compounds / SCHEMBL2187386

SCHEMBL2187386

SCHEMBL2187386

CN1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.71
▸ HSD17B10 Q99714 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ CFTR P13569 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CHRNA7 P36544 1/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.54
▸ HTR6 P50406 5/20 0.53
▸ GAA P10253 1/20 0.52
▸ BAZ2B Q9UIF8 1/20 0.50
▸ DRD2 P14416 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ DRD5 P21918 1/20 0.49

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
SCHEMBL2184741 0.89 ALOX15 (0.73) ALOX15HSD17B10USP2CYP1A2CYP2D6
SCHEMBL30704364 0.85 ACHE (0.54) ALOX15HSD17B10USP2CYP1A2CYP2D6
SCHEMBL168545 0.84 ALOX15 (0.97) ALOX15HSD17B10USP2CYP1A2CYP2D6
SCHEMBL2189728 0.81 L3MBTL1 (0.65) ALOX15HSD17B10USP2CYP1A2CYP2D6
SCHEMBL2186097 0.79 L3MBTL1 (0.70) ALOX15HSD17B10USP2CYP1A2CYP2D6
SCHEMBL1873014 0.79 MAPT (0.51) ALOX15HSD17B10USP2CYP1A2CYP2D6
Dehydrostobadine SCHEMBL167500 0.77 L3MBTL1 (0.97) ALOX15HSD17B10USP2CYP1A2CYP2D6
Dehydrostobadine SCHEMBL29468212 0.77 L3MBTL1 (0.97) ALOX15HSD17B10USP2CYP1A2CYP2D6
SCHEMBL2190311 0.76 L3MBTL1 (0.67) ALOX15HSD17B10USP2CYP1A2CYP2D6
SCHEMBL2969674 0.76 RAD52 (0.66) ALOX15HSD17B10USP2CYP1A2CYP2D6

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 31 patents — showing the first 20. 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-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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 — — US disclosed
US-8906925-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-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
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
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 — — US 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
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 (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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A ALOX15 788/4885HSD17B10 2484/4885USP2 3980/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 ALOX15 1004/4885HSD17B10 724/4885USP2 3658/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 ALOX15 1004/4885HSD17B10 724/4885USP2 3658/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A ALOX15 788/4885HSD17B10 2484/4885USP2 3980/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C ALOX15 897/4885HSD17B10 1150/4885USP2 1750/4885

“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.