SCHEMBL3789350

SCHEMBL3789350

CN1CCc2c(c3cc(F)ccc3n2CCc2cccnc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 1.00
HTR6 P50406 18/20 0.80
ADRA2A P08913 2/20 0.60
DRD2 P14416 2/20 0.60
HTR2A P28223 2/20 0.60
HTR2C P28335 2/20 0.60
HTR7 P34969 2/20 0.60
ADRA1A P35348 2/20 0.60
BCHE P06276 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
ACHE P22303 1/20 0.60
HRH2 P25021 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1E P28566 1/20 0.60
ADRA1B P35368 1/20 0.60
DRD3 P35462 1/20 0.60
HTR2B P41595 1/20 0.60
HTR5A P47898 1/20 0.60

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
SCHEMBL10127823 0.94 HRH1 (0.89) HRH1HTR6ADRA2ADRD2HTR2A
SCHEMBL8034738 0.91 HRH1 (0.83) HRH1HTR6ADRA2AADRA1ABCHE
SCHEMBL4139289 0.89 HRH1 (1.00) HRH1HTR6ADRA2ADRD2HTR2A
SCHEMBL3613735 0.88 HRH1 (0.80) HRH1HTR6ADRA2ADRD2HTR2A
Hydrochloric Acid SCHEMBL3617449 0.88 HRH1 (0.98) HRH1HTR6ADRA2ADRD2HTR2A
SCHEMBL1905784 0.88 HRH1 (0.78) HRH1HTR6ADRA2ADRD2HTR2A
SCHEMBL12882032 0.87 HTR6 (1.00) HRH1HTR6ADRA2ADRD2HTR2A
SCHEMBL4132463 0.87 HTR6 (1.00) HRH1HTR6ADRA2ADRD2HTR2A
SCHEMBL4139227 0.87 HTR6 (1.00) HRH1HTR6ADRA2ADRD2HTR2A
SCHEMBL4132686 0.87 HRH1 (1.00) HRH1HTR6ADRA2ADRD2HTR2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145887-B1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND USE THEREOF ALLA CHEM LLC (US) 2016-04-27 EP claimed
US-20190233409-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2019-08-01 US disclosed
US-9655886-B2 Substituted 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoles, methods for use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-05-23 US disclosed
US-9655886-B2 Substituted 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoles, methods for use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-05-23 US disclosed
US-20170000773-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-01-05 US disclosed
US-20170000773-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-01-05 US disclosed
EP-2145887-B1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND USE THEREOF ALLA CHEM LLC (US) 2016-04-27 EP disclosed
US-8541437-B2 Substituted 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoles, methods for the production and use thereof ALLA CHEM, LLC (US) 2013-09-24 US disclosed
US-8541437-B2 Substituted 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoles, methods for the production and use thereof ALLA CHEM, LLC (US) 2013-09-24 US disclosed
US-20130217703-A1 SUSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF ALLA CHEM, LLC (US) 2013-08-22 US disclosed
US-20130217703-A1 SUSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF ALLA CHEM, LLC (US) 2013-08-22 US disclosed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
US-20100120792-A1 Substituted 2,3,4,5-Tetrahyrdo-1H-Pyrido[4,3-B]Indoles, Methods for the Production and Use Thereof ALLA CHEM, LLC 2010-05-13 US disclosed
US-20100120792-A1 Substituted 2,3,4,5-Tetrahyrdo-1H-Pyrido[4,3-B]Indoles, Methods for the Production and Use Thereof ALLA CHEM, LLC 2010-05-13 US disclosed
EP-2145887-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-01-20 EP disclosed
EP-2145887-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-01-20 EP disclosed
WO-2009082268-A2 LIGANDS OF α-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF ALLA CHEM, LLC (US) 2009-07-02 WO disclosed
WO-2008123800-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES ALLA CHEM, LLC (US) 2008-10-16 WO disclosed
WO-2008123796-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-10-16 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-20100120792-A1 Substituted 2,3,4,5-Tetrahyrdo-1H-Pyrido[4,3-B]Indoles, Methods for the Production and Use Thereof HTR3C, HTR3A, HTR6 HRH1 75/4885HTR6 3/4885ADRA2A 207/4885
US-20190233409-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF ADORA3, HTR3C, TRPV3 HRH1 139/4885HTR6 6/4885ADRA2A 154/4885
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ADRB3, ADRA2C, ADRB2 HRH1 19/4885HTR6 40/4885ADRA2A 11/4885
US-20170000773-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF HTR6, HTR3C, HTR3B HRH1 145/4885HTR6 1/4885ADRA2A 200/4885
US-20130217703-A1 SUSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF HTR6, HTR3C, HTR3B HRH1 397/4885HTR6 1/4885ADRA2A 372/4885

“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.