SCHEMBL4606963

SCHEMBL4606963

COc1ccc2[nH]cc(CCC#N)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.68
HTR1A P08908 5/20 0.68
CYP2D6 P10635 3/20 0.68
CYP1A2 P05177 3/20 0.68
HTR1D P28221 2/20 0.68
HTR1B P28222 2/20 0.68
HTR2C P28335 2/20 0.68
HTR7 P34969 2/20 0.68
HTR6 P50406 2/20 0.68
HTR4 Q13639 2/20 0.68
MAPT P10636 1/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
TRPM8 Q7Z2W7 1/20 0.68
BLM P54132 2/20 0.66
PMP22 Q01453 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
GPR84 Q9NQS5 2/20 0.66
HTR2B P41595 3/20 0.64
MTNR1A P48039 3/20 0.64

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
SCHEMBL2724551 0.85 GPR84 (0.69) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL9529083 0.84 HTR2A (0.74) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL8252894 0.82 HTR2A (0.76) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL29375720 0.81 CYP2D6 (1.00) HTR2AHTR1ACYP2D6CYP1A2HTR1D
5-Methoxytryptamine SCHEMBL29390103 0.81 HTR1A (1.00) HTR2AHTR1ACYP2D6CYP1A2HTR1D
5-Methoxytryptamine SCHEMBL41982 0.81 HTR1A (1.00) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL676574 0.81 CYP2D6 (1.00) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL7873256 0.81 HTR2A (0.73) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL8120951 0.81 HTR2A (0.73) HTR2AHTR1ACYP2D6CYP1A2HTR1D
SCHEMBL29736216 0.81 HTR2A (0.73) HTR2AHTR1ACYP2D6CYP1A2HTR1D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 EP disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
US-5945440-A Indolocarbazole imides and the use thereof GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-08-31 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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD HTR2A 205/4885HTR1A 151/4885CYP2D6 549/4885

“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.