SCHEMBL2189728

SCHEMBL2189728

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
USP2 O75604 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CHRNA7 P36544 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.57
HTR6 P50406 7/20 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
GAA P10253 1/20 0.55
CFTR P13569 1/20 0.54
HTR1A P08908 2/20 0.49
HTR2C P28335 2/20 0.49
HTR7 P34969 2/20 0.49
MCHR1 Q99705 1/20 0.47

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
SCHEMBL2190132 0.89 CHRNA7 (0.59) L3MBTL1ALOX15HSD17B10USP2CYP1A2
SCHEMBL2190311 0.88 L3MBTL1 (0.67) L3MBTL1ALOX15HSD17B10USP2CYP1A2
SCHEMBL12479812 0.85 L3MBTL1 (0.64) L3MBTL1ALOX15HSD17B10USP2CYP1A2
SCHEMBL2186097 0.82 L3MBTL1 (0.70) L3MBTL1ALOX15HSD17B10USP2CYP1A2
SCHEMBL2187386 0.81 ALOX15 (0.71) L3MBTL1ALOX15HSD17B10USP2CYP1A2
Dehydrostobadine SCHEMBL167500 0.80 L3MBTL1 (0.97) L3MBTL1ALOX15HSD17B10USP2CYP1A2
Dehydrostobadine SCHEMBL29468212 0.80 L3MBTL1 (0.97) L3MBTL1ALOX15HSD17B10USP2CYP1A2
SCHEMBL3024458 0.79 L3MBTL1 (0.70) L3MBTL1ALOX15HSD17B10USP2CYP1A2
SCHEMBL407913 0.79 L3MBTL1 (0.70) L3MBTL1ALOX15HSD17B10USP2CYP1A2
SCHEMBL19252850 0.79 L3MBTL1 (0.70) L3MBTL1ALOX15HSD17B10USP2CYP1A2

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 23 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-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-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
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
WO-2011103448-A1 METHODS AND COMPOSITIONS FOR TREATING PSYCHOTIC DISORDERS USING ANTIPSYCHOTIC COMBINATION THERAPY MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 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
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 (7 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 L3MBTL1 2178/4885ALOX15 788/4885HSD17B10 2484/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 L3MBTL1 3727/4885ALOX15 1004/4885HSD17B10 724/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C L3MBTL1 4156/4885ALOX15 880/4885HSD17B10 1120/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 L3MBTL1 3727/4885ALOX15 1004/4885HSD17B10 724/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A L3MBTL1 2178/4885ALOX15 788/4885HSD17B10 2484/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A L3MBTL1 2178/4885ALOX15 788/4885HSD17B10 2484/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C L3MBTL1 4115/4885ALOX15 897/4885HSD17B10 1150/4885

“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.