SCHEMBL13633560

SCHEMBL13633560

N#Cc1c[nH]c2cc(CCCN3CCC(Oc4ccc(F)cc4F)CC3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.42
HTR1A P08908 3/20 0.40
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
MPO P05164 2/20 0.39
KCNH2 Q12809 3/20 0.39
KCNJ1 P48048 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
ADRA1B P35368 1/20 0.38
GRIN2B Q13224 1/20 0.37

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
SCHEMBL1322809 0.88 HRH3 (0.42) ADRA1DHTR1ADRD2SLC6A4MPO
SCHEMBL1323754 0.85 GRIN2B (0.46) ADRA1DHTR1ADRD2SLC6A4MPO
SCHEMBL1322798 0.82 GRIN2B (0.56) HTR2ACCR3GRIN2B
SCHEMBL1322882 0.81 HTR1A (0.45) HTR1ASLC6A4MPOKCNH2HTR2A
SCHEMBL1322881 0.78 ADRA1D (0.62) ADRA1DHTR1ADRD2SLC6A4KCNH2
SCHEMBL1322810 0.78 GRIN2B (0.48) HTR1ADRD2SLC6A4MPOKCNH2
SCHEMBL1322807 0.77 OPRK1 (0.41) ADRA1DKCNH2ADRA1B
SCHEMBL1322865 0.75 SLC6A4 (0.54) ADRA1DHTR1ADRD2SLC6A4KCNH2
SCHEMBL1324283 0.75 GRIN2B (0.58) HTR1AMPOHTR2ACCR3GRIN2B
SCHEMBL16595882 0.71 SLC6A4 (0.51) HTR1ADRD2SLC6A4KCNH2HTR2A

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 ADRA1D 29/4885HTR1A 3/4885DRD2 24/4885

“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.