SCHEMBL3714049

SCHEMBL3714049

C=CCC1NCCc2c1c1cc(C)ccc1n2CCc1ccc(C)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 16/20 0.55
HTR6 P50406 13/20 0.55
ADRA2A P08913 3/20 0.55
HTR2A P28223 3/20 0.55
HTR2C P28335 3/20 0.55
HTR7 P34969 3/20 0.55
ADRA1A P35348 3/20 0.55
DRD2 P14416 2/20 0.55
BCHE P06276 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
ACHE P22303 1/20 0.55
HRH2 P25021 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1E P28566 1/20 0.55
ADRA1B P35368 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55
HTR5A P47898 1/20 0.55

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
SCHEMBL3714002 0.90 KDM4E (0.53) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13696177 0.77 HRH1 (0.68) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13333420 0.77 HRH1 (0.68) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL168938 0.77 HRH1 (0.70) HRH1HTR6ADRA2AHTR2AHTR2C
Hydrochloric Acid SCHEMBL2835754 0.76 HRH1 (0.68) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL2812402 0.76 HTR6 (0.55) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL2813836 0.76 HTR6 (0.55) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL935462 0.76 HTR6 (0.55) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13654434 0.75 HRH1 (0.67) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL2814214 0.74 HTR6 (0.53) 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 8 patents. 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
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-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-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

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 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-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.