SCHEMBL168545

SCHEMBL168545

COc1ccc2[nH]c3c(c2c1)CN(C)CC3

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.97
HSD17B10 Q99714 3/20 0.97
CYP1A2 P05177 2/20 0.97
CYP2D6 P10635 2/20 0.97
USP2 O75604 1/20 0.97
CYP2C9 P11712 1/20 0.97
BAZ2B Q9UIF8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
DRD2 P14416 1/20 0.66
DRD1 P21728 1/20 0.66
DRD5 P21918 1/20 0.66
DRD3 P35462 1/20 0.66
ACHE P22303 1/20 0.63
KDR P35968 1/20 0.61
CHRNA7 P36544 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.58
HTR6 P50406 2/20 0.57
POLB P06746 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL12083125 0.89 CYP1A2 (0.78) ALOX15HSD17B10CYP1A2CYP2D6USP2
SCHEMBL2184741 0.85 ALOX15 (0.73) ALOX15HSD17B10CYP1A2CYP2D6USP2
SCHEMBL2187386 0.84 ALOX15 (0.71) ALOX15HSD17B10CYP1A2CYP2D6USP2
SCHEMBL30704338 0.83 ACHE (0.70) ALOX15HSD17B10CYP1A2CYP2D6USP2
SCHEMBL13852919 0.82 CYP1A2 (0.67) ALOX15HSD17B10CYP1A2CYP2D6USP2
Dehydrostobadine SCHEMBL29468212 0.81 L3MBTL1 (0.97) ALOX15HSD17B10CYP1A2CYP2D6USP2
Dehydrostobadine SCHEMBL167500 0.81 L3MBTL1 (0.97) ALOX15HSD17B10CYP1A2CYP2D6USP2
SCHEMBL29171356 0.81 BAZ2B (0.82) ALOX15HSD17B10CYP1A2CYP2D6USP2
SCHEMBL407913 0.80 L3MBTL1 (0.70) ALOX15HSD17B10CYP1A2CYP2D6USP2
SCHEMBL19252850 0.80 L3MBTL1 (0.70) ALOX15HSD17B10CYP1A2CYP2D6USP2

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-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 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-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 US disclosed
EP-2424364-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP disclosed
WO-2011139242-A2 PROCESS FOR THE PREPARATION OF 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE DERIVATIVES USTAV EXPIREMENTÁLNEJ FARMAKOLÓGIE A TOXIKOLÓGIE SAV (SK) 2011-11-10 WO disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
WO-2010127177-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-11-04 WO disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 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 (6 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 2484/4885CYP1A2 842/4885
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALOX15 860/4885HSD17B10 2860/4885CYP1A2 848/4885
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALOX15 860/4885HSD17B10 2860/4885CYP1A2 848/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A ALOX15 788/4885HSD17B10 2484/4885CYP1A2 842/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A ALOX15 788/4885HSD17B10 2484/4885CYP1A2 842/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B ALOX15 1435/4885HSD17B10 2883/4885CYP1A2 659/4885

“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.