SCHEMBL13368693

SCHEMBL13368693

Cc1ccc2c(c1)c1c(n2-c2cccc(C(F)(F)F)c2)CCN(C)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.58
HRH1 P35367 12/20 0.58
ADRA2A P08913 3/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
HTR7 P34969 3/20 0.49
ADRA1A P35348 3/20 0.49
DRD2 P14416 2/20 0.49
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
SCHEMBL13368695 0.88 HTR6 (0.67) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13368694 0.85 HTR6 (0.55) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL2362746 0.84 HTR6 (0.63) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL2361460 0.83 HTR6 (0.52) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13368745 0.82 HTR6 (0.58) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL10127795 0.81 HTR6 (0.59) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL2362577 0.81 HTR6 (0.50) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL2362640 0.81 HTR6 (0.56) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13368701 0.80 HTR6 (0.54) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13241776 0.79 HTR6 (0.65) 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 1 patent. 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 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 (1 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

“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.