SCHEMBL3025547

SCHEMBL3025547

CN1CCc2c(c3ccccc3n2C=Cc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 1.00
HRH1 P35367 2/20 1.00
ADRA2A P08913 2/20 0.76
ADRA1A P35348 2/20 0.76
DRD2 P14416 1/20 0.76
HTR2A P28223 1/20 0.76
HTR2C P28335 1/20 0.76
HTR7 P34969 1/20 0.76
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL3025543 1.00 HTR6 (1.00) HTR6HRH1ADRA2AADRA1ADRD2
SCHEMBL3029794 1.00 HTR6 (1.00) HTR6HRH1ADRA2AADRA1ADRD2
SCHEMBL3031472 0.91 HTR6 (0.84) HTR6HRH1ADRA2AADRA1ADRD2
SCHEMBL3031468 0.91 HTR6 (0.84) HTR6HRH1ADRA2AADRA1ADRD2
SCHEMBL3029262 0.90 HTR6 (0.82) HTR6HRH1ADRA2AADRA1ADRD2
SCHEMBL3029266 0.90 HTR6 (0.82) HTR6HRH1ADRA2AADRA1ADRD2
Hydrochloric Acid SCHEMBL15194463 0.89 HTR6 (0.80) HTR6HRH1ADRA2AADRA1ADRD2
Hydrochloric Acid SCHEMBL15194464 0.89 HTR6 (0.80) HTR6HRH1ADRA2AADRA1ADRD2
SCHEMBL3018760 0.87 HTR6 (0.77) HTR6HRH1ADRA2AADRA1ADRD2
SCHEMBL3018764 0.87 HTR6 (0.77) HTR6HRH1ADRA2AADRA1ADRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HTR6 13/4885HRH1 537/4885ADRA2A 136/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HTR6 13/4885HRH1 537/4885ADRA2A 136/4885

“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.