SCHEMBL3714002

SCHEMBL3714002

C=CCC1NCCc2c1c1ccccc1n2CCc1ccc(C)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HRH1 P35367 5/20 0.44
HTR6 P50406 5/20 0.44
BCHE P06276 4/20 0.44
ACHE P22303 3/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL3714049 0.90 HRH1 (0.55) KDM4EALDH1A1HRH1HTR6BCHE
SCHEMBL4689854 0.73 KDM4E (0.57) KDM4EALDH1A1HRH1HTR6BCHE
SCHEMBL12196034 0.73 KDM4E (0.75) KDM4EALDH1A1HRH1HTR6BCHE
Hydrochloric Acid SCHEMBL4123600 0.73 KDM4E (0.56) KDM4EALDH1A1HRH1HTR6BCHE
SCHEMBL13833905 0.72 KDM4E (0.60) KDM4EALDH1A1HRH1HTR6BCHE
SCHEMBL2810779 0.71 SIGMAR1 (0.54) KDM4EALDH1A1HRH1HTR6BCHE
SCHEMBL15119420 0.71 SIGMAR1 (0.54) KDM4EALDH1A1HRH1HTR6BCHE
SCHEMBL13394801 0.71 SIGMAR1 (0.54) KDM4EALDH1A1HRH1HTR6BCHE
SCHEMBL1662164 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HRH1HTR6BCHE
SCHEMBL30945675 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HRH1HTR6BCHE

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 KDM4E 4130/4885ALDH1A1 2039/4885HRH1 75/4885
US-20190233409-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF ADORA3, HTR3C, TRPV3 KDM4E 3153/4885ALDH1A1 1525/4885HRH1 139/4885
US-20170000773-A1 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF HTR6, HTR3C, HTR3B KDM4E 4105/4885ALDH1A1 1667/4885HRH1 145/4885
US-20130217703-A1 SUSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR USE THEREOF HTR6, HTR3C, HTR3B KDM4E 3802/4885ALDH1A1 1390/4885HRH1 397/4885

“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.