SCHEMBL3035109

SCHEMBL3035109

CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 1.00
HRH1 P35367 8/20 0.61
ADRA2A P08913 1/20 0.60
DRD2 P14416 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR7 P34969 1/20 0.60
ADRA1A P35348 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
SCHEMBL3035111 1.00 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3034894 0.91 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3034893 0.91 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL13343174 0.90 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL2191362 0.88 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL2191361 0.88 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3032198 0.87 HTR6 (0.83) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3032202 0.87 HTR6 (0.83) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL2186455 0.87 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A
SCHEMBL3026846 0.87 HTR6 (1.00) HTR6HRH1ADRA2ADRD2HTR2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 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-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-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-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 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
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 (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 HTR6 13/4885HRH1 537/4885ADRA2A 136/4885
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 HTR6 3/4885HRH1 75/4885ADRA2A 207/4885
US-20190233409-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF ADORA3, HTR3C, TRPV3 HTR6 6/4885HRH1 139/4885ADRA2A 154/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HTR6 13/4885HRH1 537/4885ADRA2A 136/4885
US-20170000773-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF HTR6, HTR3C, HTR3B HTR6 1/4885HRH1 145/4885ADRA2A 200/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HTR6 13/4885HRH1 537/4885ADRA2A 136/4885
US-20130217703-A1 SUSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF HTR6, HTR3C, HTR3B HTR6 1/4885HRH1 397/4885ADRA2A 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.