SCHEMBL6099692

SCHEMBL6099692

CN1C[C@@H](CC#N)Oc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.46
HTR1A P08908 3/20 0.41
RORC P51449 1/20 0.38
PTGIR P43119 8/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
AR P10275 1/20 0.34
CETP P11597 1/20 0.34
PTGDR Q13258 1/20 0.34
CASR P41180 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL7820154 0.84 NISCH (0.45) NISCHRORCPTGIRMEN1KMT2A
SCHEMBL6100304 0.81 NISCH (0.49) NISCHHTR1ARORCPTGIRMEN1
SCHEMBL14367884 0.79 NISCH (0.47) NISCHHTR1APTGIRMEN1KMT2A
SCHEMBL6100159 0.78 NISCH (0.46) NISCHHTR1ARORCPTGIRMEN1
SCHEMBL6102123 0.73 NISCH (0.47) NISCHHTR1A
SCHEMBL17447932 0.72 NISCH (0.44) NISCHHTR1ARORCPTGIRAKR1B1
SCHEMBL6101300 0.71 HTR1A (0.44) NISCHHTR1APTGIRARPTGDR
SCHEMBL14367872 0.69 PTGDR (0.45) NISCHHTR1APTGIRARPTGDR
SCHEMBL14367855 0.69 PTGDR (0.45) NISCHHTR1APTGIRARPTGDR
SCHEMBL17447933 0.69 NISCH (0.41) NISCHHTR1ARORCMEN1KMT2A

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-20060089353-A1 Indole derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-27 US disclosed
EP-1600440-A1 INDOLE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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-20060089353-A1 Indole derivative compounds and drugs containing the compounds as the active ingredient PTGIS, IDO1, IDO2 NISCH 2741/4885HTR1A 223/4885RORC 138/4885

“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.