SCHEMBL13633559

SCHEMBL13633559

N#Cc1c[nH]c2ccc(CCCN3CCN(c4c[nH]c5ccc(C(N)=O)cc45)CC3)cc12

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
SLC6A4 P31645 1/20 0.46
HTR1A P08908 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
SCHEMBL1324162 0.84 HTR7 (0.51)
SCHEMBL1323781 0.81 HTR1A (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1322976 0.80 HTR1A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1323780 0.79 HTR1D (0.42) SLC6A4HTR1A
SCHEMBL1323756 0.79 HTR1A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1322782 0.78 DRD2 (0.50) ADRA1AHTR1A
SCHEMBL1406171 0.77 HTR1A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1322969 0.77 HTR1A (0.57) HTR1A
SCHEMBL13763556 0.77 HTR1A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1322961 0.76 HTR1D (0.55) SLC6A4HTR1A

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-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 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 (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-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A ADRA2A 30/4885ADRA2B 55/4885ADRA2C 46/4885

“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.