Sugi Predict

Sugi Predict / Compounds / SCHEMBL3622697

SCHEMBL3622697

SCHEMBL3622697

Cc1ccc(CCn2c3c(c4cc(Br)ccc42)CN(C)CC3)cn1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.81
▸ HRH1 P35367 16/20 0.81
▸ ADRA2A P08913 3/20 0.81
▸ HTR2A P28223 3/20 0.81
▸ HTR2C P28335 3/20 0.81
▸ HTR7 P34969 3/20 0.81
▸ ADRA1A P35348 3/20 0.81
▸ DRD2 P14416 2/20 0.81
▸ BCHE P06276 1/20 0.81
▸ ADRA2B P18089 1/20 0.81
▸ ADRA2C P18825 1/20 0.81
▸ ACHE P22303 1/20 0.81
▸ HRH2 P25021 1/20 0.81
▸ ADRA1D P25100 1/20 0.81
▸ HTR1D P28221 1/20 0.81
▸ HTR1E P28566 1/20 0.81
▸ ADRA1B P35368 1/20 0.81
▸ DRD3 P35462 1/20 0.81
▸ HTR2B P41595 1/20 0.81
▸ HTR5A P47898 1/20 0.81

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
Latrepirdine SCHEMBL29717625 0.90 HRH1 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
Latrepirdine SCHEMBL29357222 0.90 HRH1 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
Latrepirdine SCHEMBL292354 0.90 HRH1 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
Latrepirdine SCHEMBL29717663 0.90 HRH1 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
Latrepirdine SCHEMBL29717582 0.89 HRH1 (0.98) HTR6HRH1ADRA2AHTR2AHTR2C
Latrepirdine SCHEMBL30783244 0.89 HRH1 (0.98) HTR6HRH1ADRA2AHTR2AHTR2C
Latrepirdine SCHEMBL3733639 0.89 HRH1 (0.98) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL4141872 0.89 HTR6 (0.83) HTR6HRH1ADRA2AHTR2AHTR2C
Latrepirdine SCHEMBL293658 0.89 HRH1 (0.98) HTR6HRH1ADRA2AHTR2AHTR2C
Dorastine SCHEMBL3116611 0.88 HTR6 (0.81) HTR6HRH1ADRA2AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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-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-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 — — US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 — — US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 — — US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 — — US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 — — US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 — — US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 — — US disclosed
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 — — EP 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
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 — — US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 — — US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 — — US disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 — — WO disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 — — 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 (4 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 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-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-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HTR6 10/4885HRH1 31/4885ADRA2A 200/4885

“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.