SCHEMBL121601

SCHEMBL121601

Fc1ccc(C2(C3CCC3)CO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.46
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
TRPA1 O75762 1/20 0.36
BACE1 P56817 1/20 0.35

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
SCHEMBL2173396 0.92 MAOB (0.41) HSD11B1MAOBMAOASLC6A3CHRNA1
SCHEMBL16409291 0.80 CHRM2 (0.51) SLC6A3SLC6A2CHRM2CHRM4CHRM5
SCHEMBL1690206 0.76 CHRM2 (0.55) SLC6A3SLC6A2CHRM2CHRM4CHRM5
SCHEMBL10875957 0.76 GRIN1 (0.42) MAOBMAOASLC6A3CHRNA1CHRNG
SCHEMBL16409353 0.74 CHRM2 (0.57) SLC6A3SLC6A2CHRM2CHRM4CHRM5
SCHEMBL9668821 0.72 HSD11B1 (0.39) HSD11B1MAOBMAOASLC6A3CHRNA1
SCHEMBL13221434 0.69 MAOB (0.50) HSD11B1MAOBMAOASLC6A3CHRNA1
SCHEMBL13221433 0.68 MAOB (0.37) HSD11B1MAOBMAOASLC6A3CHRNA1
SCHEMBL7292524 0.68 MAOB (0.43) HSD11B1MAOBMAOASLC6A3CHRNA1
SCHEMBL13221438 0.67 SLC6A3 (0.40) HSD11B1MAOBMAOASLC6A3SLC6A2

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 13 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-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE 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
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP 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
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 HSD11B1 2950/4885MAOB 55/4885MAOA 92/4885
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HSD11B1 2008/4885MAOB 31/4885MAOA 75/4885
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HSD11B1 2008/4885MAOB 31/4885MAOA 75/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HSD11B1 2950/4885MAOB 55/4885MAOA 92/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HSD11B1 2950/4885MAOB 55/4885MAOA 92/4885

“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.