SCHEMBL13638611

SCHEMBL13638611

NC(=O)c1csc(N2CCN(CCCc3ccc4[nH]cc(N)c4c3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.49
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL1322976 0.89 HTR1A (0.51) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL1406250 0.81 HTR1A (0.46) HTR1A
SCHEMBL13638413 0.80 HTR2A (0.41) HTR1A
SCHEMBL1406171 0.77 HTR1A (0.47) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL1322830 0.77 HTR1A (0.55) HTR1A
SCHEMBL12123757 0.76 HTR1A (0.67) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL13763299 0.75 HTR1D (0.57) HTR1A
SCHEMBL1406244 0.72 HTR1A (0.50) HTR1A
SCHEMBL13955054 0.71 HTR7 (0.54) HTR1A
SCHEMBL12123965 0.71 HTR1A (0.58) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 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 (2 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-20090054459-A1 Substituted indoles TPH2, TPH1, HTR1A HTR1A 3/4885ADRA2A 28/4885ADRA2B 54/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A HTR1A 3/4885ADRA2A 30/4885ADRA2B 55/4885

“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.