Sugi Predict

Sugi Predict / Compounds / SCHEMBL168938

SCHEMBL168938

SCHEMBL168938

Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCNC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 14/20 0.70
▸ HTR6 P50406 12/20 0.70
▸ ADRA2A P08913 3/20 0.70
▸ HTR2A P28223 3/20 0.70
▸ HTR2C P28335 3/20 0.70
▸ HTR7 P34969 3/20 0.70
▸ ADRA1A P35348 3/20 0.70
▸ DRD2 P14416 2/20 0.70
▸ BCHE P06276 1/20 0.70
▸ ADRA2B P18089 1/20 0.70
▸ ADRA2C P18825 1/20 0.70
▸ ACHE P22303 1/20 0.70
▸ HRH2 P25021 1/20 0.70
▸ ADRA1D P25100 1/20 0.70
▸ HTR1D P28221 1/20 0.70
▸ HTR1E P28566 1/20 0.70
▸ ADRA1B P35368 1/20 0.70
▸ DRD3 P35462 1/20 0.70
▸ HTR2B P41595 1/20 0.70
▸ HTR5A P47898 1/20 0.70

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
Hydrochloric Acid SCHEMBL2835754 0.99 HRH1 (0.68) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13654434 0.92 HRH1 (0.67) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13696305 0.90 HRH1 (0.56) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13696306 0.88 HRH1 (0.55) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL176870 0.87 HRH1 (0.54) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL8032452 0.87 HRH1 (0.70) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL3715511 0.86 HRH1 (0.53) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13696231 0.86 HRH1 (0.53) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL8037457 0.84 HTR6 (0.68) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL8037324 0.84 HRH1 (0.68) HRH1HTR6ADRA2AHTR2AHTR2C

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 54 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-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-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 — — 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-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 — — US disclosed
US-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 — — US disclosed
WO-2010057104-A2 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 — — WO disclosed
US-20100029706-A1 HYDROGENATED PYRIDO[4,3-b]INDOLES FOR THE TREATMENT OF OXIDATIVE STRESS Edison Parmaceuticals, Inc. a Delaware Corporation (US) 2010-02-04 — — US disclosed
WO-2010014758-A1 USE OF HYDROGENATED PYRIDO[4,3-B] INDOLES FOR THE TREATMENT OF OXIDATIVE STRESS EDISON PHARMACEUTICALS, INC. (US) 2010-02-04 — — WO 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 (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-20100029706-A1 HYDROGENATED PYRIDO[4,3-b]INDOLES FOR THE TREATMENT OF OXIDATIVE STRESS SHMT2, PRDX5, TXN2 HRH1 1505/4885HTR6 233/4885ADRA2A 1342/4885
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-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-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE GRIN3A, GRIK5, CHRNA5 HRH1 431/4885HTR6 281/4885ADRA2A 501/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885ADRA2A 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.