SCHEMBL17097232

SCHEMBL17097232

CC(C)(C)OC(=O)N1CCC(Cn2cc3ccc(-c4cn(S(=O)(=O)c5ccccc5)c5cc(F)ccc45)cc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
BCHE P06276 1/20 0.39
TGFBR1 P36897 5/20 0.39
MMP13 P45452 1/20 0.38
RORC P51449 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MERTK Q12866 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
NR1H2 P55055 1/20 0.36
YAP1 P46937 1/20 0.36

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
SCHEMBL17097264 0.94 HTR6 (0.45) HTR6BCHETGFBR1MMP13RORC
SCHEMBL17097051 0.90 CNR2 (0.41) HTR6
SCHEMBL17097093 0.89 HTR6 (0.45) HTR6BCHETGFBR1MMP13GPR119
SCHEMBL16697746 0.86 HTR6 (0.47) HTR6BCHETGFBR1MMP13GPR119
SCHEMBL16704229 0.86 HTR6 (0.47) HTR6BCHETGFBR1GPR119MERTK
SCHEMBL17097189 0.86 HTR6 (0.46) HTR6BCHETGFBR1MMP13RORC
SCHEMBL17096893 0.85 GPR119 (0.45) HTR6BCHETGFBR1MMP13RORC
SCHEMBL17102234 0.84 HTR6 (0.38) HTR6
SCHEMBL17102222 0.84 HTR6 (0.47) HTR6TDO2
Hydrochloric Acid SCHEMBL17097296 0.83 HTR6 (0.47) 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 4 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
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US 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 47/4885BCHE 662/4885TGFBR1 4368/4885

“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.