SCHEMBL2937196

SCHEMBL2937196

CN1C(=O)C=C(c2c[nH]c3ccc(Br)cc23)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.49
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 2/20 0.47
EGFR P00533 2/20 0.45
ERBB2 P04626 1/20 0.45
IGF1R P08069 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
TEK Q02763 1/20 0.45
GPR84 Q9NQS5 1/20 0.41
NR4A2 P43354 1/20 0.41
CLK1 P49759 3/20 0.41

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
SCHEMBL7809511 0.82 PDE4B (0.50) HTR1AHTR7HTR6SLC6A4KDR
SCHEMBL20624158 0.80 SIRT2 (0.63) CAMK2DHTR1AHTR7HTR6DRD2
SCHEMBL5879168 0.80 SIRT2 (0.63) CAMK2DHTR1AHTR6SLC6A4PDGFRB
SCHEMBL7090508 0.76 NR4A2 (0.40) CAMK2DHTR1AHTR7HTR6DRD2
SCHEMBL8354590 0.75 SIRT2 (0.76) CAMK2DHTR1AHTR7HTR6DRD2
SCHEMBL5879137 0.74 HTR1D (0.49) SLC6A4CYP1A2
SCHEMBL5429556 0.74 GPR84 (0.62) HTR1AHTR7HTR6DRD2HTR2A
SCHEMBL5879252 0.73 PDGFRB (0.50) CAMK2DHTR1AHTR7HTR6DRD2
SCHEMBL7737770 0.73 PDGFRB (0.44) CAMK2DHTR1AHTR7HTR6DRD2
SCHEMBL7826604 0.72 KDR (0.68) CAMK2DHTR1AHTR7HTR6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
US-8673909-B2 Indole compounds and methods for treating visceral pain NEURAXON, INC. (CA) 2014-03-18 US disclosed
EP-2220075-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN Neuraxon, INC. (CA) 2010-08-25 EP disclosed
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 US disclosed
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 US disclosed
US-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-07-30 US disclosed
WO-2009062319-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-05-22 WO disclosed
WO-2009062319-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN NEURAXON, INC. (CA) 2009-05-22 WO 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-20090192157-A1 INDOLE COMPOUNDS AND METHODS FOR TREATING VISCERAL PAIN TPH1, NOS1, IDO1 CAMK2D 1453/4885HTR1A 8/4885HTR7 93/4885

“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.