SCHEMBL17096764

SCHEMBL17096764

CC(=O)NCCc1nc2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(F)ccc34)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.47
HTT P42858 1/20 0.46
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
DGAT2 Q96PD7 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 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
SCHEMBL17102242 0.94 HTR6 (0.45) HTR6HTTHTR2AHTR7DGAT2
SCHEMBL17097323 0.92 HTR6 (0.49) HTR6HTR2AHTR7SMN1; SMN2
SCHEMBL17096752 0.90 GNRHR (0.42) HTR6HTR2AHTR7DGAT2TRPV1
SCHEMBL17097214 0.89 HTR6 (0.43) HTR6HTR2AHTR7TRPV1
SCHEMBL17097082 0.87 HTR6 (0.46) HTR6HTTHTR2AHTR7TRPV1
SCHEMBL17102224 0.86 HTR6 (0.42) HTR6HTR2AHTR7TRPV1
SCHEMBL17097134 0.86 IDO1 (0.50) HTR6HTR2AHTR7TRPV1
SCHEMBL17102205 0.86 HTR6 (0.42) HTR6HTR2AHTR7TRPV1
SCHEMBL17096726 0.84 HTR6 (0.42) HTR6HTR2AHTR7TRPV1
SCHEMBL17097269 0.84 HTR6 (0.42) HTR6HTR2AHTR7TRPV1

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 47/4885HTT 11/4885HTR2A 71/4885

“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.