SCHEMBL17096989

SCHEMBL17096989

CC(C)(C)OC(=O)N1CCC(Cc2nc3ccc(-c4cn(S(=O)(=O)c5ccccc5)c5cc(F)ccc45)cc3o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.44
TGFBR1 P36897 6/20 0.40
GPR119 Q8TDV5 6/20 0.39
BCHE P06276 1/20 0.39
RORC P51449 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 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
SCHEMBL17102156 0.90 HTR6 (0.37) HTR6
SCHEMBL17097049 0.90 HTR6 (0.45) HTR6TGFBR1GPR119MMP13
SCHEMBL17097179 0.88 HTR6 (0.40) HTR6
SCHEMBL17097157 0.86 HTT (0.40) HTR6GPR119TDO2
SCHEMBL17120433 0.86 HTR6 (0.38) HTR6BCHE
SCHEMBL17097222 0.84 HTR6 (0.46) HTR6
SCHEMBL17097264 0.84 HTR6 (0.45) HTR6TGFBR1GPR119BCHERORC
SCHEMBL17097195 0.83 GRM2 (0.41) HTR6
SCHEMBL17097232 0.82 HTR6 (0.45) HTR6TGFBR1GPR119BCHERORC
SCHEMBL17096912 0.82 HTR6 (0.38) HTR6

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
WO-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 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-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 47/4885TGFBR1 4368/4885GPR119 124/4885

“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.